A0A096MFS2_POEFO Loading...

Carboxylic ester hydrolase

AlphaFold DB , UniProt , Accession A0A096MFS2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 559 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	K	43.4	Very low	37.5	Very low	267 Å²	267	169.2 Å²	169.2	100%	1.161	83%	0.834	S	S	*	*				0	82.4	0	-76.8	179.6	176.4	177	0	108
2	M	34.7	Very low	37.4	Very low	191 Å²	191	167.7 Å²	167.7	94%	0.941	83%	0.83	S	S	*	*	P	Polyproline II helix	trans	-98.9	126	179.5	-85.6	161.5	67.4	0	0	108.4
3	R	39.4	Very low	37.7	Very low	246 Å²	246	162.9 Å²	162.9	93%	0.928	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-81.2	125.1	177.7	-82.1	175.4	160.7	171.3	-6.5	109.2
4	T	37.3	Very low	38	Very low	131 Å²	131	161.1 Å²	161.1	80%	0.804	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-68.3	125.7	169.9	-44.2	0	0	0	0	109.6
5	V	40.7	Very low	38.1	Very low	117 Å²	117	160.1 Å²	160.1	71%	0.709	82%	0.817	S	S	*	*			trans	-105	117.9	169.6	177.1	0	0	0	0	107.3	F7	V5-F7 HydrophobicContact CG1-CD2 4.2Å; V5-F7 HydrophobicContact CG1-CE2 4.28Å
6	L	35.1	Very low	38.4	Very low	149 Å²	149	160.9 Å²	160.9	78%	0.78	82%	0.819	S	S	*	*			trans	-91.9	111.5	177.8	-147.1	84.2	0	0	0	108
7	F	36.2	Very low	38.5	Very low	190 Å²	190	158.8 Å²	158.8	83%	0.833	82%	0.815	S	S	*	*			trans	-86.8	113.4	170.1	-100.4	-89.1	0	0	0	108.9	V5	V5-F7 HydrophobicContact CG1-CD2 4.2Å; V5-F7 HydrophobicContact CG1-CE2 4.28Å
8	V	36.4	Very low	38.7	Very low	104 Å²	104	159.8 Å²	159.8	63%	0.63	82%	0.818	S	S	*	*			trans	-89.1	113	171.4	177.5	0	0	0	0	107.7	F10	V8-F10 HydrophobicContact CG1-CD2 4.1Å; V8-F10 HydrophobicContact CG1-CE2 4.11Å
9	V	36.6	Very low	38.9	Very low	121 Å²	121	156.3 Å²	156.3	73%	0.733	82%	0.815	S	S	*	*			trans	-86.6	112.4	172.7	176.9	0	0	0	0	108
10	F	36.3	Very low	39	Very low	185 Å²	185	157.4 Å²	157.4	81%	0.811	82%	0.816	S	S	*	*			trans	-82.7	110	168.6	-95.8	-89.8	0	0	0	109.2	V8	V8-F10 HydrophobicContact CG1-CD2 4.1Å; V8-F10 HydrophobicContact CG1-CE2 4.11Å
11	L	36.9	Very low	39.1	Very low	160 Å²	160	154.9 Å²	154.9	84%	0.838	81%	0.81	S	S	*	*			trans	-82.8	106.3	165.8	-90.9	149.7	0	0	0	108.6
12	L	35.5	Very low	38.8	Very low	151 Å²	151	145.6 Å²	145.6	79%	0.791	78%	0.783	S	S	*	*			trans	-81.9	126.6	167.9	-91.2	152.3	0	0	0	109.1	V14	L12-V14 PolarHBondContact O-N 3.24Å
13	P	41.6	Very low	38.9	Very low	106 Å²	106	143.2 Å²	143.2	69%	0.688	78%	0.782	S	S	*	*			trans	-75.7	120.9	173	29.5	-28.6	0	0	0	109.3	L15	P13-L15 PolarHBondContact O-N 3.13Å; P13-L15 VanDerWaalsContact O-N 3.13Å
14	V	42.5	Very low	39.4	Very low	137 Å²	137	133.1 Å²	133.1	83%	0.83	75%	0.754	S	S	*	*			trans	-74	98.4	168.9	178.1	0	0	0	0	107.6	L12 M16	L12-V14 PolarHBondContact O-N 3.24Å; V14-M16 PolarHBondContact O-N 3.4Å
15	L	39.6	Very low	40	Very low	147 Å²	147	129.2 Å²	129.2	77%	0.77	73%	0.732	S	S	*	*			trans	-73.4	101.5	165	-98.2	131.5	0	0	0	108.2	P13 V17	P13-L15 PolarHBondContact O-N 3.13Å; P13-L15 VanDerWaalsContact O-N 3.13Å; L15-V17 PolarHBondContact O-N 2.97Å
16	M	42	Very low	41.1	Very low	173 Å²	173	128.3 Å²	128.3	85%	0.852	73%	0.731	S	S	*	*			trans	-66.3	99.4	161.7	-92.5	-177.4	171.3	0	0	108.2	V14 M18	V14-M16 PolarHBondContact O-N 3.4Å; M16-M18 PolarHBondContact O-N 3.07Å; M16-M18 VanDerWaalsContact O-N 3.15Å
17	V	39.6	Very low	43.2	Very low	125 Å²	125	125.9 Å²	125.9	76%	0.758	72%	0.716	S	S	*	*			trans	-72.4	100.8	164.1	179.2	0	0	0	0	106.6	L15 A19	L15-V17 PolarHBondContact O-N 2.97Å; V17-A19 PolarHBondContact O-N 3.01Å
18	M	42.9	Very low	45.9	Very low	176 Å²	176	117.8 Å²	117.8	87%	0.867	68%	0.681	S	S	*	*			trans	-61.7	104.7	161.7	-73.3	-91.3	-150.6	0	0	106.8	M16 Q20	M16-M18 PolarHBondContact O-N 3.07Å; M16-M18 VanDerWaalsContact O-N 3.15Å; M18-Q20 PolarHBondContact O-N 3.05Å
19	A	41.9	Very low	48.8	Very low	93 Å²	93	114.2 Å²	114.2	77%	0.769	66%	0.659	S	S	*	*			trans	-62.7	106.4	171	0	0	0	0	0	108	V17	V17-A19 PolarHBondContact O-N 3.01Å
20	Q	41.7	Very low	51.6	Low	178 Å²	178	109 Å²	109	83%	0.832	63%	0.628	S	S	*	*	P	Polyproline II helix	trans	-64.3	134.6	164.3	-75.5	-178.4	-35.3	0	0	107.7	M18 A22	M18-Q20 PolarHBondContact O-N 3.05Å; Q20-A22 PolarHBondContact O-N 3.15Å
21	P	40.9	Very low	54.5	Low	106 Å²	106	104.1 Å²	104.1	69%	0.688	62%	0.617	S	S	*	*	P	Polyproline II helix	trans	-57.5	135.9	173.6	22.9	-30.2	0	0	0	108.8
22	A	36.8	Very low	57.2	Low	71 Å²	71	97.3 Å²	97.3	59%	0.587	58%	0.581	S	S	*	*	P	Polyproline II helix	trans	-52.2	133.8	178.4	0	0	0	0	0	110	Q20 G24 S25	Q20-A22 PolarHBondContact O-N 3.15Å; A22-G24 PolarHBondContact O-N 3.05Å; A22-S25 PolarHBondContact O-N 2.88Å
23	P	36.8	Very low	59.8	Low	141 Å²	141	97.4 Å²	97.4	92%	0.916	58%	0.575	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.6	109.3	172.9	-4.4	15.8	0	0	0	107.8
24	G	49.5	Very low	62.2	Low	34 Å²	34	93 Å²	93	35%	0.351	55%	0.546	S	S	.	.	T	Hydrogen-bonded Turn	trans	137.4	-16.4	-177.9	0	0	0	0	0	115.2	A22	A22-G24 PolarHBondContact O-N 3.05Å
25	S	50.6	Low	64.7	Low	49 Å²	49	87.1 Å²	87.1	34%	0.343	51%	0.514	S	S	.	.	S	Bend	trans	-78.8	-23.3	-177.9	70.1	0	0	0	0	114.8	A22 R38	A22-S25 PolarHBondContact O-N 2.88Å; S25-R38 PolarHBondContact O-NH1 2.67Å
26	S	63.8	Low	67.4	Low	98 Å²	98	84 Å²	84	69%	0.685	50%	0.496	S	S	*	.	S	Bend	trans	-84.5	-20.2	176.9	66.7	0	0	0	0	113.6	L28 V29	S26-L28 VanDerWaalsContact C-N 3.31Å; S26-L28 PolarHBondContact O-N 2.74Å; S26-V29 PolarHBondContact O-N 3.36Å
27	E	78.9	Confident	70.1	Confident	98 Å²	98	75.8 Å²	75.8	46%	0.458	46%	0.455	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.8	-18.6	-172.8	-153.7	-161.9	152.5	0	0	113.9	Y41 K52	E27-Y41 PolarHBondContact OE1-OH 3.03Å; E27-Y41 VanDerWaalsContact OE1-OH 3.12Å; E27-Y41 PolarHBondContact OE2-OH 2.89Å; E27-K52 WeakPolarHBondContact OE1-CE 3.41Å; E27-K52 IonicContact OE1-NZ 2.74Å; E27-K52 PolarHBondContact OE1-NZ 2.95Å
28	L	93.8	Very high	72.9	Confident	21 Å²	21	73.4 Å²	73.4	11%	0.11	43%	0.432	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.9	4	177.4	-70	171	0	0	0	112.7	S26 R38 G39 Y41 K52 Y54	S26-L28 VanDerWaalsContact C-N 3.31Å; S26-L28 PolarHBondContact O-N 2.74Å; L28-R38 CarbonylContact O-C 3.6Å; L28-R38 WeakPolarHBondContact O-CA 3.48Å; L28-G39 PolarHBondContact O-N 3.42Å; L28-Y41 HydrophobicContact CD1-CD2 3.7Å; L28-Y41 HydrophobicContact CD1-CE2 3.77Å; L28-Y41 HydrophobicContact CD2-CD1 4.32Å; L28-Y41 HydrophobicContact CD2-CD2 3.98Å; L28-Y41 HydrophobicContact CD2-CE1 4.14Å; L28-Y41 HydrophobicContact CD2-CE2 3.8Å; L28-Y41 HydrophobicContact CD2-CG 4.23Å; L28-Y41 HydrophobicContact CG-CD2 4.13Å; L28-Y41 HydrophobicContact CG-CE2 3.78Å; L28-K52 HydrophobicContact CD2-CB 4.24Å; L28-K52 HydrophobicContact CD2-CD 4.34Å; L28-K52 HydrophobicContact CD2-CG 3.9Å; L28-Y54 VanDerWaalsContact O-CE1 3.3Å; L28-Y54 WeakPolarHBondContact O-CE1 3.31Å
29	V	96.6	Very high	75.5	Confident	28 Å²	28	65.1 Å²	65.1	17%	0.17	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	117.3	177.1	-175.8	0	0	0	0	108.5	S26 Q36 I37 R38 E81	S26-V29 PolarHBondContact O-N 3.36Å; V29-Q36 HydrophobicContact CG1-CB 4.05Å; V29-Q36 HydrophobicContact CG1-CG 4.48Å; V29-I37 WeakPolarHBondContact CA-O 3.36Å; V29-R38 HydrophobicContact CG2-CB 4.37Å; V29-R38 VanDerWaalsContact CG2-NH2 3.32Å; V29-E81 HydrophobicContact CG1-CG 4.35Å; V29-E81 VanDerWaalsContact CG2-OE2 3.28Å; V29-E81 WeakPolarHBondContact CG2-OE2 3.42Å
30	V	96.1	Very high	78.1	Confident	12 Å²	12	63.2 Å²	63.2	7%	0.073	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	129.6	176.6	177.5	0	0	0	0	108.9	L32 Q36 I37 Y54 A209 F210	V30-L32 HydrophobicContact CG1-CD2 3.85Å; V30-Q36 WeakPolarHBondContact O-CA 3.18Å; V30-I37 HydrophobicContact CB-CG2 4.16Å; V30-I37 PolarHBondContact N-O 3.32Å; V30-I37 PolarHBondContact O-N 3.02Å; V30-Y54 HydrophobicContact CB-CE1 4.27Å; V30-Y54 HydrophobicContact CG2-CD1 4.49Å; V30-Y54 HydrophobicContact CG2-CE1 3.59Å; V30-Y54 HydrophobicContact CG2-CE2 4.34Å; V30-Y54 WeakPolarHBondContact CG2-OH 3.49Å; V30-A209 HydrophobicContact CG1-CB 3.61Å; V30-F210 HydrophobicContact CB-CE1 4Å; V30-F210 HydrophobicContact CB-CZ 4.24Å; V30-F210 HydrophobicContact CG1-CD1 4.27Å; V30-F210 HydrophobicContact CG1-CD2 4.36Å; V30-F210 HydrophobicContact CG1-CE1 3.89Å; V30-F210 HydrophobicContact CG1-CE2 4Å; V30-F210 HydrophobicContact CG1-CG 4.5Å; V30-F210 HydrophobicContact CG1-CZ 3.76Å; V30-F210 HydrophobicContact CG2-CD1 4.01Å; V30-F210 HydrophobicContact CG2-CE1 3.91Å
31	S	95.6	Very high	80.7	Confident	82 Å²	82	57.8 Å²	57.8	57%	0.573	34%	0.34	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.2	119.8	174.5	-64.2	0	0	0	0	110.4
32	L	95	Very high	83.3	Confident	18 Å²	18	53.7 Å²	53.7	9%	0.094	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	165.6	174.4	-51	176.3	0	0	0	109.5	V30 S34 G35 I37 I57 W78 W202 N206 A209 F210	V30-L32 HydrophobicContact CG1-CD2 3.85Å; L32-S34 PolarHBondContact O-N 3.12Å; L32-G35 WeakPolarHBondContact CA-O 3.4Å; L32-G35 VanDerWaalsContact CB-O 3.31Å; L32-G35 WeakPolarHBondContact CB-O 3.33Å; L32-G35 PolarHBondContact N-O 2.85Å; L32-G35 PolarHBondContact O-N 2.74Å; L32-I37 HydrophobicContact CD1-CG2 4.24Å; L32-I57 HydrophobicContact CD1-CG2 4.05Å; L32-W78 HydrophobicContact CD1-CH2 4.09Å; L32-W78 HydrophobicContact CD1-CZ2 4.48Å; L32-W202 HydrophobicContact CD1-CZ2 3.94Å; L32-W202 HydrophobicContact CD2-CZ2 4.29Å; L32-N206 HydrophobicContact CD2-CB 4.09Å; L32-A209 HydrophobicContact CD2-CB 4.42Å; L32-F210 HydrophobicContact CD1-CZ 4.44Å; L32-F210 HydrophobicContact CD2-CE2 3.52Å; L32-F210 HydrophobicContact CD2-CZ 3.78Å
33	K	89.3	Confident	86	Confident	152 Å²	152	54.6 Å²	54.6	66%	0.661	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-32.9	172.4	-65.3	-177.7	-170.1	167.1	0	112.4	E205	K33-E205 IonicContact NZ-OE2 2.78Å; K33-E205 PolarHBondContact NZ-OE2 3.48Å
34	S	92.1	Very high	88.7	Confident	13 Å²	13	48.2 Å²	48.2	9%	0.091	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86	-10.8	-179	55.4	0	0	0	0	113.7	L32 P77 W78	L32-S34 PolarHBondContact O-N 3.12Å; S34-P77 CarbonylContact O-C 3.03Å; S34-P77 WeakPolarHBondContact O-CA 3.42Å; S34-W78 VanDerWaalsContact CB-CZ3 3.42Å; S34-W78 PolarHBondContact O-N 3.32Å; S34-W78 WeakPolarHBondContact OG-CH2 3.36Å; S34-W78 WeakPolarHBondContact OG-CZ3 3.37Å
35	G	94.9	Very high	90.8	Very high	14 Å²	14	51.1 Å²	51.1	14%	0.144	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	146.1	-172.4	-179.3	0	0	0	0	0	113	L32	L32-G35 WeakPolarHBondContact CA-O 3.4Å; L32-G35 VanDerWaalsContact CB-O 3.31Å; L32-G35 WeakPolarHBondContact CB-O 3.33Å; L32-G35 PolarHBondContact N-O 2.85Å; L32-G35 PolarHBondContact O-N 2.74Å
36	Q	97.3	Very high	92.8	Very high	83 Å²	83	51.6 Å²	51.6	39%	0.388	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	140.1	180	-66.7	175.4	82	0	0	111.2	V29 V30 W78 R82	V29-Q36 HydrophobicContact CG1-CB 4.05Å; V29-Q36 HydrophobicContact CG1-CG 4.48Å; V30-Q36 WeakPolarHBondContact O-CA 3.18Å; Q36-W78 PolarHBondContact O-NE1 3.49Å; Q36-R82 PolarHBondContact O-N 2.82Å
37	I	97.6	Very high	94.3	Very high	0 Å²	0	49 Å²	49	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	133.3	174.4	-169.3	169.7	0	0	0	111.2	V29 V30 L32 Y54 I57 R82 F210	V29-I37 WeakPolarHBondContact CA-O 3.36Å; V30-I37 HydrophobicContact CB-CG2 4.16Å; V30-I37 PolarHBondContact N-O 3.32Å; V30-I37 PolarHBondContact O-N 3.02Å; L32-I37 HydrophobicContact CD1-CG2 4.24Å; I37-Y54 HydrophobicContact CG2-CD1 4.05Å; I37-I57 HydrophobicContact CD1-CB 4.34Å; I37-I57 HydrophobicContact CD1-CD1 4.23Å; I37-I57 HydrophobicContact CD1-CG1 3.27Å; I37-R82 WeakPolarHBondContact CA-O 3.17Å; I37-F210 HydrophobicContact CG2-CZ 4.4Å
38	R	97.9	Very high	95	Very high	74 Å²	74	53.5 Å²	53.5	28%	0.279	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	121.9	172.2	177.6	-179.2	-63.1	-70.3	-13.6	110.4	S25 L28 V29 E81 R82 G84	S25-R38 PolarHBondContact O-NH1 2.67Å; L28-R38 CarbonylContact O-C 3.6Å; L28-R38 WeakPolarHBondContact O-CA 3.48Å; V29-R38 HydrophobicContact CG2-CB 4.37Å; V29-R38 VanDerWaalsContact CG2-NH2 3.32Å; R38-E81 HydrophobicContact CB-CG 3.91Å; R38-E81 WeakPolarHBondContact CB-OE1 3.49Å; R38-E81 WeakPolarHBondContact CD-OE1 3.48Å; R38-E81 IonicContact CZ-OE1 3.35Å; R38-E81 IonicContact CZ-OE2 2.66Å; R38-E81 IonicContact NE-OE1 2.81Å; R38-E81 PolarHBondContact NE-OE1 3.37Å; R38-E81 IonicContact NE-OE2 3.65Å; R38-E81 IonicContact NH2-OE1 2.87Å; R38-E81 PolarHBondContact NH2-OE1 2.91Å; R38-E81 VanDerWaalsContact NH2-OE1 3.09Å; R38-E81 IonicContact NH2-OE2 3.64Å; R38-E81 PolarHBondContact NH2-OE2 3.37Å; R38-R82 PolarHBondContact N-O 2.89Å; R38-G84 CarbonylContact O-C 3.58Å; R38-G84 WeakPolarHBondContact O-CA 3.5Å; R38-G84 PolarHBondContact O-N 2.96Å
39	G	97.5	Very high	95	Very high	3 Å²	3	57.8 Å²	57.8	3%	0.031	30%	0.301	C	S	.	.			trans	-96.3	-164.3	170.4	0	0	0	0	0	113	L28 R53 Y54	L28-G39 PolarHBondContact O-N 3.42Å; G39-R53 CarbonylContact C-O 3.43Å; G39-R53 WeakPolarHBondContact CA-O 3.29Å; G39-Y54 VanDerWaalsContact CA-CD1 3.46Å
40	E	96.7	Very high	95	Very high	53 Å²	53	61.2 Å²	61.2	25%	0.248	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	163.6	176.2	69.5	-170.2	130.1	0	0	112.2	V42 K52 R53 T85	E40-V42 HydrophobicContact CG-CG1 4.01Å; E40-K52 CarbonylContact O-C 3.57Å; E40-K52 WeakPolarHBondContact O-CA 3.33Å; E40-R53 VanDerWaalsContact CD-NH2 3.31Å; E40-R53 HydrophobicContact CG-CB 4.27Å; E40-R53 PolarHBondContact N-O 2.98Å; E40-R53 PolarHBondContact O-N 3.31Å; E40-R53 IonicContact OE1-CZ 2.68Å; E40-R53 IonicContact OE1-NE 3.65Å; E40-R53 PolarHBondContact OE1-NE 2.97Å; E40-R53 IonicContact OE1-NH2 3.09Å; E40-R53 PolarHBondContact OE1-NH2 3.15Å; E40-R53 IonicContact OE2-NH2 3.21Å; E40-T85 HydrophobicContact CB-CG2 3.9Å; E40-T85 HydrophobicContact CG-CG2 4.25Å
41	Y	96.3	Very high	95	Very high	63 Å²	63	60.7 Å²	60.7	25%	0.247	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	135	167.3	-73.7	-68	0	0	0	110.7	E27 L28 V51 K52 A127	E27-Y41 PolarHBondContact OE1-OH 3.03Å; E27-Y41 VanDerWaalsContact OE1-OH 3.12Å; E27-Y41 PolarHBondContact OE2-OH 2.89Å; L28-Y41 HydrophobicContact CD1-CD2 3.7Å; L28-Y41 HydrophobicContact CD1-CE2 3.77Å; L28-Y41 HydrophobicContact CD2-CD1 4.32Å; L28-Y41 HydrophobicContact CD2-CD2 3.98Å; L28-Y41 HydrophobicContact CD2-CE1 4.14Å; L28-Y41 HydrophobicContact CD2-CE2 3.8Å; L28-Y41 HydrophobicContact CD2-CG 4.23Å; L28-Y41 HydrophobicContact CG-CD2 4.13Å; L28-Y41 HydrophobicContact CG-CE2 3.78Å; Y41-V51 CarbonylContact C-O 3.51Å; Y41-V51 WeakPolarHBondContact CA-O 3.5Å; Y41-K52 HydrophobicContact CD1-CG 4.04Å; Y41-K52 HydrophobicContact CE1-CD 4.27Å; Y41-K52 HydrophobicContact CE1-CG 3.59Å; Y41-K52 WeakPolarHBondContact OH-CE 3.36Å; Y41-A127 HydrophobicContact CD1-CB 3.97Å; Y41-A127 HydrophobicContact CE1-CB 3.65Å
42	V	95.6	Very high	95.1	Very high	20 Å²	20	58.2 Å²	58.2	12%	0.121	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	147.9	170.3	-57.7	0	0	0	0	111.1	E40 R50 V51 R53 S157	E40-V42 HydrophobicContact CG-CG1 4.01Å; V42-R50 WeakPolarHBondContact O-CA 3.34Å; V42-V51 HydrophobicContact CG2-CB 3.71Å; V42-V51 HydrophobicContact CG2-CG1 4.19Å; V42-V51 PolarHBondContact N-O 2.86Å; V42-V51 PolarHBondContact O-N 2.71Å; V42-R53 HydrophobicContact CG1-CB 4.19Å; V42-R53 HydrophobicContact CG2-CB 4.28Å; V42-S157 WeakPolarHBondContact CG2-OG 3.43Å
43	T	94.6	Very high	95.3	Very high	91 Å²	91	58.4 Å²	58.4	56%	0.558	29%	0.286	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100.2	149.6	176.2	58.1	0	0	0	0	110.6	R50	T43-R50 HydrophobicContact CG2-CG 4.48Å
44	V	94.1	Very high	95.7	Very high	6 Å²	6	51.4 Å²	51.4	4%	0.036	26%	0.256	C	S	.	.			trans	-116.6	135.1	178.9	175.8	0	0	0	0	108.8	T47 V51 A161 Y162 F465	V44-T47 HydrophobicContact CB-CG2 3.75Å; V44-T47 HydrophobicContact CG1-CG2 3.84Å; V44-T47 VanDerWaalsContact O-O 3.11Å; V44-V51 HydrophobicContact CG2-CG2 4.26Å; V44-A161 HydrophobicContact CB-CB 4.16Å; V44-A161 HydrophobicContact CG1-CB 4.41Å; V44-A161 HydrophobicContact CG2-CB 3.79Å; V44-Y162 HydrophobicContact CG1-CD2 4.31Å; V44-Y162 HydrophobicContact CG1-CE2 3.72Å; V44-F465 HydrophobicContact CG1-CB 4.01Å
45	K	93	Very high	96	Very high	95 Å²	95	50.9 Å²	50.9	41%	0.413	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.1	140.4	178.7	-68.3	170.9	180	161.2	0	110.6	Y162 F465 W466 N467	K45-Y162 PolarHBondContact O-OH 3.41Å; K45-F465 HydrophobicContact CB-CB 4.38Å; K45-F465 HydrophobicContact CB-CD1 4.48Å; K45-F465 PolarHBondContact N-O 3.17Å; K45-F465 WeakPolarHBondContact O-CD1 3.37Å; K45-W466 PolarHBondContact NZ-O 3.32Å; K45-N467 HydrophobicContact CD-CB 4.49Å; K45-N467 WeakPolarHBondContact CE-OD1 3.39Å; K45-N467 HydrophobicContact CG-CB 4.23Å
46	G	92.8	Very high	96.1	Very high	60 Å²	60	50.8 Å²	50.8	62%	0.619	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.5	9.2	175.8	0	0	0	0	0	115.4	Y162	G46-Y162 WeakPolarHBondContact CA-OH 3.22Å; G46-Y162 PolarHBondContact O-OH 2.97Å; G46-Y162 VanDerWaalsContact O-OH 3.13Å
47	T	94	Very high	96.2	Very high	43 Å²	43	46.8 Å²	46.8	26%	0.264	23%	0.232	S	C	.	.			trans	-148.3	152.2	173.7	-178.4	0	0	0	0	110.7	V44 R49 A161 Y162	V44-T47 HydrophobicContact CB-CG2 3.75Å; V44-T47 HydrophobicContact CG1-CG2 3.84Å; V44-T47 VanDerWaalsContact O-O 3.11Å; T47-R49 VanDerWaalsContact C-N 3.34Å; T47-R49 HydrophobicContact CG2-CB 4.41Å; T47-R49 PolarHBondContact OG1-N 2.83Å; T47-A161 HydrophobicContact CG2-CB 4.23Å; T47-Y162 HydrophobicContact CG2-CE1 4.39Å; T47-Y162 HydrophobicContact CG2-CE2 4.22Å
48	E	94.3	Very high	96.2	Very high	193 Å²	193	47.3 Å²	47.3	90%	0.902	24%	0.235	S	C	*	.	S	Bend	trans	-85	-11.3	173.6	-63.7	-175.5	167.3	0	0	112.5
49	R	94.6	Very high	96.3	Very high	110 Å²	110	44 Å²	44	42%	0.415	22%	0.223	S	C	.	.			trans	-66.4	141.1	177.5	-68.5	-179.2	177.2	177.7	-0.8	111.1	T47 A161	T47-R49 VanDerWaalsContact C-N 3.34Å; T47-R49 HydrophobicContact CG2-CB 4.41Å; T47-R49 PolarHBondContact OG1-N 2.83Å; R49-A161 HydrophobicContact CB-CB 4.28Å; R49-A161 WeakPolarHBondContact CD-O 3.39Å; R49-A161 PolarHBondContact NH1-O 2.9Å
50	R	95.4	Very high	96.3	Very high	101 Å²	101	44 Å²	44	38%	0.381	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	164.8	176.9	-58	174.9	-63.6	158.9	3.9	110.1	V42 T43 A127 E128	V42-R50 WeakPolarHBondContact O-CA 3.34Å; T43-R50 HydrophobicContact CG2-CG 4.48Å; R50-A127 HydrophobicContact CB-CB 3.82Å; R50-A127 WeakPolarHBondContact O-CB 3.49Å; R50-A127 PolarHBondContact O-N 3.33Å; R50-E128 WeakPolarHBondContact CB-OE1 3.36Å; R50-E128 IonicContact CZ-OE1 2.89Å; R50-E128 PolarHBondContact N-OE1 2.94Å; R50-E128 PolarHBondContact N-OE2 2.92Å; R50-E128 IonicContact NE-OE1 3.66Å; R50-E128 PolarHBondContact NE-OE1 3.48Å; R50-E128 IonicContact NH2-OE1 3.38Å
51	V	97.4	Very high	96.4	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	137	178	175.5	0	0	0	0	108.7	Y41 V42 V44 Y124 T125 S157 T160 A161	Y41-V51 CarbonylContact C-O 3.51Å; Y41-V51 WeakPolarHBondContact CA-O 3.5Å; V42-V51 HydrophobicContact CG2-CB 3.71Å; V42-V51 HydrophobicContact CG2-CG1 4.19Å; V42-V51 PolarHBondContact N-O 2.86Å; V42-V51 PolarHBondContact O-N 2.71Å; V44-V51 HydrophobicContact CG2-CG2 4.26Å; V51-Y124 HydrophobicContact CG1-CD1 4.33Å; V51-T125 CarbonylContact C-O 3.6Å; V51-T125 WeakPolarHBondContact CA-O 3.2Å; V51-T125 WeakPolarHBondContact CG1-O 3.48Å; V51-S157 WeakPolarHBondContact CG2-O 3.39Å; V51-T160 HydrophobicContact CG1-CG2 3.97Å; V51-T160 HydrophobicContact CG2-CG2 3.86Å; V51-A161 HydrophobicContact CG2-CB 3.88Å
52	K	97.9	Very high	96.5	Very high	31 Å²	31	43.1 Å²	43.1	14%	0.135	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86	118.8	163.8	-60.6	174.4	-179.6	179.1	0	107.2	E27 L28 E40 Y41 Y54 T125 A127	E27-K52 WeakPolarHBondContact OE1-CE 3.41Å; E27-K52 IonicContact OE1-NZ 2.74Å; E27-K52 PolarHBondContact OE1-NZ 2.95Å; L28-K52 HydrophobicContact CD2-CB 4.24Å; L28-K52 HydrophobicContact CD2-CD 4.34Å; L28-K52 HydrophobicContact CD2-CG 3.9Å; E40-K52 CarbonylContact O-C 3.57Å; E40-K52 WeakPolarHBondContact O-CA 3.33Å; Y41-K52 HydrophobicContact CD1-CG 4.04Å; Y41-K52 HydrophobicContact CE1-CD 4.27Å; Y41-K52 HydrophobicContact CE1-CG 3.59Å; Y41-K52 WeakPolarHBondContact OH-CE 3.36Å; K52-Y54 HydrophobicContact CB-CE2 3.75Å; K52-T125 HydrophobicContact CB-CG2 3.77Å; K52-T125 HydrophobicContact CD-CG2 4.5Å; K52-T125 PolarHBondContact N-O 3.13Å; K52-T125 PolarHBondContact O-N 3.09Å; K52-A127 HydrophobicContact CG-CB 4.11Å
53	R	97.8	Very high	96.6	Very high	22 Å²	22	42.4 Å²	42.4	8%	0.083	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	131.5	-176.2	-178	175.4	77.4	179.9	5.3	110	G39 E40 V42 L55 Y124	G39-R53 CarbonylContact C-O 3.43Å; G39-R53 WeakPolarHBondContact CA-O 3.29Å; E40-R53 VanDerWaalsContact CD-NH2 3.31Å; E40-R53 HydrophobicContact CG-CB 4.27Å; E40-R53 PolarHBondContact N-O 2.98Å; E40-R53 PolarHBondContact O-N 3.31Å; E40-R53 IonicContact OE1-CZ 2.68Å; E40-R53 IonicContact OE1-NE 3.65Å; E40-R53 PolarHBondContact OE1-NE 2.97Å; E40-R53 IonicContact OE1-NH2 3.09Å; E40-R53 PolarHBondContact OE1-NH2 3.15Å; E40-R53 IonicContact OE2-NH2 3.21Å; V42-R53 HydrophobicContact CG1-CB 4.19Å; V42-R53 HydrophobicContact CG2-CB 4.28Å; R53-L55 HydrophobicContact CG-CD1 4.44Å; R53-L55 HydrophobicContact CG-CD2 3.65Å; R53-L55 HydrophobicContact CG-CG 3.89Å; R53-Y124 HydrophobicContact CB-CD1 4.43Å; R53-Y124 HydrophobicContact CG-CD1 3.97Å; R53-Y124 HydrophobicContact CG-CE1 3.74Å
54	Y	98.4	Very high	96.6	Very high	4 Å²	4	41.3 Å²	41.3	2%	0.016	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	115.6	177	-54.9	-96.5	0	0	0	108.4	L28 V30 I37 G39 K52 G84 N122 V123 T125 F210	L28-Y54 VanDerWaalsContact O-CE1 3.3Å; L28-Y54 WeakPolarHBondContact O-CE1 3.31Å; V30-Y54 HydrophobicContact CB-CE1 4.27Å; V30-Y54 HydrophobicContact CG2-CD1 4.49Å; V30-Y54 HydrophobicContact CG2-CE1 3.59Å; V30-Y54 HydrophobicContact CG2-CE2 4.34Å; V30-Y54 WeakPolarHBondContact CG2-OH 3.49Å; I37-Y54 HydrophobicContact CG2-CD1 4.05Å; G39-Y54 VanDerWaalsContact CA-CD1 3.46Å; K52-Y54 HydrophobicContact CB-CE2 3.75Å; Y54-G84 CarbonylContact C-O 3.5Å; Y54-G84 WeakPolarHBondContact CA-O 3.39Å; Y54-N122 CarbonylContact O-C 3.58Å; Y54-N122 WeakPolarHBondContact O-CA 3.39Å; Y54-V123 PolarHBondContact N-O 2.9Å; Y54-V123 PolarHBondContact O-N 2.88Å; Y54-T125 HydrophobicContact CE2-CG2 4.17Å; Y54-F210 HydrophobicContact CD1-CE1 4Å; Y54-F210 AromaticContact CD2-CD1 3.7Å; Y54-F210 HydrophobicContact CD2-CD1 3.7Å; Y54-F210 AromaticContact CD2-CE1 3.72Å; Y54-F210 HydrophobicContact CD2-CE1 3.72Å; Y54-F210 HydrophobicContact CE1-CE1 4.32Å; Y54-F210 AromaticContact CE2-CD1 3.79Å; Y54-F210 HydrophobicContact CE2-CD1 3.79Å; Y54-F210 HydrophobicContact CE2-CE1 4.07Å; Y54-F210 HydrophobicContact CG-CD1 4.19Å; Y54-F210 AromaticContact CG-CE1 3.7Å; Y54-F210 HydrophobicContact CG-CE1 3.7Å
55	L	98.1	Very high	96.5	Very high	3 Å²	3	43 Å²	43	2%	0.016	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	150.1	-175	-55	-177.2	0	0	0	110.5	R53 I57 G84 Q86 Q87 N122	R53-L55 HydrophobicContact CG-CD1 4.44Å; R53-L55 HydrophobicContact CG-CD2 3.65Å; R53-L55 HydrophobicContact CG-CG 3.89Å; L55-I57 PolarHBondContact O-N 3.39Å; L55-G84 PolarHBondContact N-O 3.12Å; L55-G84 VanDerWaalsContact O-CA 3.28Å; L55-G84 WeakPolarHBondContact O-CA 3.37Å; L55-Q86 VanDerWaalsContact CB-O 3.23Å; L55-Q86 WeakPolarHBondContact CB-O 3.35Å; L55-Q87 HydrophobicContact CD1-CG 4.25Å; L55-N122 VanDerWaalsContact CA-OD1 3.27Å; L55-N122 WeakPolarHBondContact CA-OD1 3.44Å; L55-N122 HydrophobicContact CD2-CB 3.77Å
56	G	97.6	Very high	96.5	Very high	11 Å²	11	44.1 Å²	44.1	11%	0.113	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	66.6	36.7	171	0	0	0	0	0	114.5	P58 Y120 L121 N122	G56-P58 WeakPolarHBondContact O-CD 3.14Å; G56-Y120 VanDerWaalsContact O-CD1 3.24Å; G56-Y120 WeakPolarHBondContact O-CD1 3.23Å; G56-L121 PolarHBondContact N-O 3.31Å; G56-N122 PolarHBondContact N-OD1 3.43Å
57	I	98.6	Very high	96.6	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	120.9	174.8	-60.3	155.3	0	0	0	109.1	L32 I37 L55 F59 Y120 L121 V123 W202 F210	L32-I57 HydrophobicContact CD1-CG2 4.05Å; I37-I57 HydrophobicContact CD1-CB 4.34Å; I37-I57 HydrophobicContact CD1-CD1 4.23Å; I37-I57 HydrophobicContact CD1-CG1 3.27Å; L55-I57 PolarHBondContact O-N 3.39Å; I57-F59 PolarHBondContact O-N 2.99Å; I57-Y120 CarbonylContact O-C 3.53Å; I57-Y120 VanDerWaalsContact O-CA 3.26Å; I57-Y120 WeakPolarHBondContact O-CA 3.36Å; I57-L121 HydrophobicContact CB-CD1 3.87Å; I57-L121 HydrophobicContact CB-CG 4.38Å; I57-L121 HydrophobicContact CD1-CD1 3.87Å; I57-L121 HydrophobicContact CG1-CD1 4.45Å; I57-L121 HydrophobicContact CG2-CD1 4.32Å; I57-L121 PolarHBondContact N-O 3.46Å; I57-L121 PolarHBondContact O-N 2.78Å; I57-V123 HydrophobicContact CD1-CB 4.21Å; I57-V123 HydrophobicContact CD1-CG2 3.69Å; I57-W202 HydrophobicContact CD1-CH2 4.21Å; I57-W202 HydrophobicContact CD1-CZ2 4.44Å; I57-W202 HydrophobicContact CG2-CH2 4.35Å; I57-W202 HydrophobicContact CG2-CZ2 3.59Å; I57-F210 HydrophobicContact CD1-CE1 4.27Å; I57-F210 HydrophobicContact CD1-CZ 3.96Å
58	P	98.3	Very high	96.7	Very high	10 Å²	10	42.1 Å²	42.1	7%	0.065	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	126.3	176.6	30.7	-35.4	0	0	0	109.9	G56 P75 W78 Y120	G56-P58 WeakPolarHBondContact O-CD 3.14Å; P58-P75 HydrophobicContact CB-CB 4.42Å; P58-W78 HydrophobicContact CG-CE3 4.22Å; P58-W78 HydrophobicContact CG-CH2 4.15Å; P58-W78 HydrophobicContact CG-CZ3 3.59Å; P58-Y120 HydrophobicContact CB-CD1 4.07Å; P58-Y120 HydrophobicContact CB-CE1 3.84Å
59	F	98.5	Very high	96.7	Very high	5 Å²	5	33 Å²	33	2%	0.022	18%	0.178	C	C	.	.			trans	-106.5	-8.3	175.1	69.7	-101.5	0	0	0	113.1	I57 P75 L119 Y120 L121 Q171 D195 A198 A199 W202	I57-F59 PolarHBondContact O-N 2.99Å; F59-P75 WeakPolarHBondContact O-CD 3.16Å; F59-L119 WeakPolarHBondContact CD1-O 3.47Å; F59-L119 HydrophobicContact CE1-CB 4.16Å; F59-L119 HydrophobicContact CE2-CB 4.14Å; F59-L119 HydrophobicContact CZ-CB 3.83Å; F59-L119 HydrophobicContact CZ-CD2 4.01Å; F59-L119 HydrophobicContact CZ-CG 4.44Å; F59-L119 PolarHBondContact N-O 2.78Å; F59-L119 VanDerWaalsContact N-O 3.16Å; F59-Y120 WeakPolarHBondContact CE1-O 3.37Å; F59-L121 HydrophobicContact CB-CD2 3.71Å; F59-L121 HydrophobicContact CB-CG 4.33Å; F59-L121 HydrophobicContact CD1-CB 4.13Å; F59-L121 HydrophobicContact CD1-CD2 3.89Å; F59-L121 HydrophobicContact CD1-CG 4.09Å; F59-L121 HydrophobicContact CG-CD2 4.09Å; F59-Q171 WeakPolarHBondContact CE1-O 3.45Å; F59-Q171 VanDerWaalsContact CZ-O 3.28Å; F59-Q171 WeakPolarHBondContact CZ-O 3.39Å; F59-D195 HydrophobicContact CE2-CB 4.3Å; F59-D195 VanDerWaalsContact CE2-O 3.25Å; F59-D195 WeakPolarHBondContact CE2-O 3.43Å; F59-D195 HydrophobicContact CZ-CB 4.33Å; F59-A198 HydrophobicContact CD2-CB 4.14Å; F59-A198 HydrophobicContact CE2-CB 4.21Å; F59-A199 HydrophobicContact CD1-CB 4.16Å; F59-A199 HydrophobicContact CD2-CB 3.87Å; F59-A199 HydrophobicContact CE1-CB 4.19Å; F59-A199 HydrophobicContact CE2-CB 3.94Å; F59-A199 HydrophobicContact CG-CB 3.99Å; F59-A199 HydrophobicContact CZ-CB 4.09Å; F59-W202 HydrophobicContact CB-CB 3.91Å; F59-W202 HydrophobicContact CB-CG 3.85Å
60	A	98.4	Very high	96.8	Very high	4 Å²	4	29 Å²	29	3%	0.033	17%	0.168	C	C	.	.	S	Bend	trans	-151	167.3	176.6	0	0	0	0	0	110.8	P72 E73 L119	A60-P72 HydrophobicContact CB-CB 3.88Å; A60-E73 CarbonylContact C-O 3.56Å; A60-E73 WeakPolarHBondContact CA-O 3.37Å; A60-E73 WeakPolarHBondContact CB-O 3.41Å; A60-L119 HydrophobicContact CB-CB 4.02Å; A60-L119 HydrophobicContact CB-CD1 3.68Å
61	K	98.2	Very high	96.9	Very high	46 Å²	46	26.8 Å²	26.8	20%	0.2	17%	0.172	C	C	.	.			trans	-65.6	150.2	171	-58.2	-166.1	-169.5	176.6	0	111.1	P63 L67 E73 S74 E76	K61-P63 WeakPolarHBondContact O-CD 3.28Å; K61-L67 HydrophobicContact CB-CD1 4.12Å; K61-L67 HydrophobicContact CD-CD1 4.47Å; K61-E73 HydrophobicContact CB-CB 4.39Å; K61-E73 HydrophobicContact CD-CB 3.88Å; K61-E73 WeakPolarHBondContact CD-OE2 3.35Å; K61-E73 VanDerWaalsContact CE-OE2 3.31Å; K61-E73 WeakPolarHBondContact CE-OE2 3.34Å; K61-E73 HydrophobicContact CG-CB 3.92Å; K61-E73 PolarHBondContact N-O 2.96Å; K61-E73 IonicContact NZ-OE2 3.92Å; K61-E73 PolarHBondContact NZ-OE2 2.96Å; K61-S74 WeakPolarHBondContact CE-O 3.12Å; K61-S74 WeakPolarHBondContact CG-O 3.13Å; K61-E76 HydrophobicContact CD-CG 4.19Å; K61-E76 WeakPolarHBondContact CE-OE1 3.46Å; K61-E76 HydrophobicContact CG-CG 4.38Å; K61-E76 IonicContact NZ-OE1 3.78Å; K61-E76 PolarHBondContact NZ-OE1 3.01Å
62	P	98.1	Very high	96.9	Very high	50 Å²	50	28.2 Å²	28.2	33%	0.325	18%	0.181	S	C	.	.			trans	-54.3	122.7	170.6	-25	34	0	0	0	111	V64 D117	P62-V64 HydrophobicContact CB-CG1 4.31Å; P62-V64 HydrophobicContact CB-CG2 4.22Å; P62-V64 PolarHBondContact O-N 3.24Å; P62-D117 HydrophobicContact CB-CB 3.93Å; P62-D117 HydrophobicContact CG-CB 4.39Å; P62-D117 WeakPolarHBondContact CG-OD1 3.43Å
63	P	97.5	Very high	96.9	Very high	6 Å²	6	31 Å²	31	4%	0.039	19%	0.194	C	C	.	.			trans	-80.6	48.9	-175.6	34.2	-38.2	0	0	0	112.4	K61 R68 E116 L119 R173	K61-P63 WeakPolarHBondContact O-CD 3.28Å; P63-R68 WeakPolarHBondContact O-CA 3.38Å; P63-R68 PolarHBondContact O-N 3.3Å; P63-E116 VanDerWaalsContact CD-O 3.23Å; P63-E116 WeakPolarHBondContact CD-O 3.3Å; P63-E116 VanDerWaalsContact CG-O 3.24Å; P63-E116 WeakPolarHBondContact CG-O 3.36Å; P63-L119 HydrophobicContact CB-CD1 4.28Å; P63-L119 HydrophobicContact CG-CD1 3.91Å; P63-L119 HydrophobicContact CG-CG 4.03Å; P63-R173 HydrophobicContact CG-CG 4.13Å
64	V	96.3	Very high	96.8	Very high	68 Å²	68	34.6 Å²	34.6	41%	0.412	22%	0.223	S	C	.	.			trans	-99.6	158.3	-174.8	-61.7	0	0	0	0	112.3	P62 L67 E116	P62-V64 HydrophobicContact CB-CG1 4.31Å; P62-V64 HydrophobicContact CB-CG2 4.22Å; P62-V64 PolarHBondContact O-N 3.24Å; V64-L67 PolarHBondContact O-N 3.17Å; V64-E116 HydrophobicContact CG1-CB 3.78Å
65	G	91.9	Very high	96.6	Very high	41 Å²	41	35.7 Å²	35.7	42%	0.423	23%	0.231	S	C	.	.	G	3₁₀ helix	trans	57.4	-121.3	175.1	0	0	0	0	0	111.9	L67 R68	G65-L67 PolarHBondContact O-N 3.39Å; G65-R68 VanDerWaalsContact O-CB 3.26Å; G65-R68 WeakPolarHBondContact O-CB 3.49Å; G65-R68 PolarHBondContact O-N 2.91Å; G65-R68 VanDerWaalsContact O-N 3.1Å
66	P	91.7	Very high	96.3	Very high	118 Å²	118	41.2 Å²	41.2	77%	0.766	26%	0.256	S	S	*	.	G	3₁₀ helix	trans	-61	-23.5	177.8	-22.2	33.7	0	0	0	114.8	R68	P66-R68 VanDerWaalsContact C-N 3.26Å
67	L	96.3	Very high	96.2	Very high	40 Å²	40	45.3 Å²	45.3	21%	0.209	28%	0.281	C	S	.	.	G	3₁₀ helix	trans	-84	-1.6	178.7	-63	178.8	0	0	0	113	K61 V64 G65 M69 A70 E73	K61-L67 HydrophobicContact CB-CD1 4.12Å; K61-L67 HydrophobicContact CD-CD1 4.47Å; V64-L67 PolarHBondContact O-N 3.17Å; G65-L67 PolarHBondContact O-N 3.39Å; L67-M69 PolarHBondContact O-N 3.22Å; L67-A70 PolarHBondContact O-N 2.71Å; L67-E73 HydrophobicContact CD2-CG 4.29Å
68	R	95.5	Very high	96	Very high	22 Å²	22	47.1 Å²	47.1	8%	0.083	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.2	130.6	172.7	-167.2	-174.9	-72.5	167.5	0.9	109.9	P63 G65 P66 A70 E116 L177 L287 R288 K290	P63-R68 WeakPolarHBondContact O-CA 3.38Å; P63-R68 PolarHBondContact O-N 3.3Å; G65-R68 VanDerWaalsContact O-CB 3.26Å; G65-R68 WeakPolarHBondContact O-CB 3.49Å; G65-R68 PolarHBondContact O-N 2.91Å; G65-R68 VanDerWaalsContact O-N 3.1Å; P66-R68 VanDerWaalsContact C-N 3.26Å; R68-A70 VanDerWaalsContact C-N 3.3Å; R68-A70 PolarHBondContact O-N 2.81Å; R68-E116 IonicContact CZ-OE1 3.59Å; R68-E116 IonicContact CZ-OE2 3.86Å; R68-E116 IonicContact NE-OE1 2.62Å; R68-E116 IonicContact NE-OE2 3.83Å; R68-E116 PolarHBondContact NE-OE2 3.43Å; R68-E116 VanDerWaalsContact NH2-CD 3.35Å; R68-E116 IonicContact NH2-OE1 2.74Å; R68-E116 PolarHBondContact NH2-OE1 2.81Å; R68-E116 IonicContact NH2-OE2 2.7Å; R68-E116 PolarHBondContact NH2-OE2 2.81Å; R68-L177 HydrophobicContact CG-CD2 3.68Å; R68-L287 PolarHBondContact NH1-O 3.1Å; R68-R288 HydrophobicContact CB-CG 4.46Å; R68-R288 PolarHBondContact NH1-O 2.87Å; R68-R288 PolarHBondContact O-NE 2.93Å; R68-R288 PolarHBondContact O-NH2 2.7Å; R68-K290 PolarHBondContact NH1-O 2.73Å; R68-K290 PolarHBondContact NH2-O 3.44Å
69	M	94.2	Very high	95.8	Very high	2 Å²	2	56 Å²	56	1%	0.01	33%	0.328	C	S	.	.	T	Hydrogen-bonded Turn	trans	53.1	49.2	-174.9	-58.9	168.2	-176	0	0	111.7	L67 I176 L177 L180 W191 L287 R288 F295	L67-M69 PolarHBondContact O-N 3.22Å; M69-I176 HydrophobicContact CE-CG2 3.56Å; M69-L177 HydrophobicContact CE-CD2 4.29Å; M69-L180 HydrophobicContact CE-CB 4.41Å; M69-L180 HydrophobicContact CE-CD2 3.78Å; M69-L180 HydrophobicContact SD-CD2 3.65Å; M69-W191 HydrophobicContact CB-CZ2 4.46Å; M69-W191 WeakPolarHBondContact O-CZ2 3.5Å; M69-L287 HydrophobicContact CE-CB 4.02Å; M69-L287 HydrophobicContact CE-CD1 4.47Å; M69-L287 HydrophobicContact SD-CB 4.43Å; M69-R288 PolarHBondContact O-NH2 3.25Å; M69-R288 VanDerWaalsContact O-NH2 3.1Å; M69-F295 HydrophobicContact CE-CZ 4.4Å
70	A	95.7	Very high	95.6	Very high	24 Å²	24	58 Å²	58	20%	0.198	35%	0.351	C	S	.	.	S	Bend	trans	-136.5	161.2	172.9	0	0	0	0	0	109.6	L67 R68 R173	L67-A70 PolarHBondContact O-N 2.71Å; R68-A70 VanDerWaalsContact C-N 3.3Å; R68-A70 PolarHBondContact O-N 2.81Å; A70-R173 VanDerWaalsContact O-CZ 3.29Å; A70-R173 PolarHBondContact O-NH1 3.2Å; A70-R173 PolarHBondContact O-NH2 3.11Å
71	A	97.5	Very high	95.4	Very high	55 Å²	55	62 Å²	62	46%	0.455	37%	0.369	S	S	.	.	P	Polyproline II helix	trans	-59.1	143.6	175.1	0	0	0	0	0	110.8	L194	A71-L194 HydrophobicContact CB-CD1 4.12Å
72	P	98.3	Very high	95.3	Very high	30 Å²	30	64.1 Å²	64.1	20%	0.195	38%	0.376	C	S	.	.	P	Polyproline II helix	trans	-64.3	138.7	177.3	28.1	-34.3	0	0	0	111	A60 L119 L194 D195 A198	A60-P72 HydrophobicContact CB-CB 3.88Å; P72-L119 HydrophobicContact CB-CD1 4.25Å; P72-L194 HydrophobicContact CG-CB 4.22Å; P72-L194 WeakPolarHBondContact CG-O 3.45Å; P72-D195 WeakPolarHBondContact CB-OD1 3.44Å; P72-D195 WeakPolarHBondContact CG-OD1 3.31Å; P72-A198 HydrophobicContact CB-CB 4.16Å; P72-A198 HydrophobicContact CG-CB 3.71Å
73	E	98	Very high	95.2	Very high	90 Å²	90	65.6 Å²	65.6	42%	0.421	38%	0.381	S	S	.	.	P	Polyproline II helix	trans	-99.8	156	173.1	-66.9	-173	-176.2	0	0	111.1	A60 K61 L67	A60-E73 CarbonylContact C-O 3.56Å; A60-E73 WeakPolarHBondContact CA-O 3.37Å; A60-E73 WeakPolarHBondContact CB-O 3.41Å; K61-E73 HydrophobicContact CB-CB 4.39Å; K61-E73 HydrophobicContact CD-CB 3.88Å; K61-E73 WeakPolarHBondContact CD-OE2 3.35Å; K61-E73 VanDerWaalsContact CE-OE2 3.31Å; K61-E73 WeakPolarHBondContact CE-OE2 3.34Å; K61-E73 HydrophobicContact CG-CB 3.92Å; K61-E73 PolarHBondContact N-O 2.96Å; K61-E73 IonicContact NZ-OE2 3.92Å; K61-E73 PolarHBondContact NZ-OE2 2.96Å; L67-E73 HydrophobicContact CD2-CG 4.29Å
74	S	95.8	Very high	95.2	Very high	98 Å²	98	65.3 Å²	65.3	69%	0.685	38%	0.379	S	S	*	.	P	Polyproline II helix	trans	-54.9	140.6	176.1	-58.9	0	0	0	0	112.1	K61	K61-S74 WeakPolarHBondContact CE-O 3.12Å; K61-S74 WeakPolarHBondContact CG-O 3.13Å
75	P	94.6	Very high	95.2	Very high	27 Å²	27	64.2 Å²	64.2	18%	0.175	37%	0.372	C	S	.	.	P	Polyproline II helix	trans	-63.2	143.9	-176.3	28	-33.1	0	0	0	110.7	P58 F59	P58-P75 HydrophobicContact CB-CB 4.42Å; F59-P75 WeakPolarHBondContact O-CD 3.16Å
76	E	91.4	Very high	95.4	Very high	118 Å²	118	68.7 Å²	68.7	55%	0.551	38%	0.382	S	S	*	.	P	Polyproline II helix	trans	-66.8	135	173.6	-66.1	-65.5	168.3	0	0	109.8	K61	K61-E76 HydrophobicContact CD-CG 4.19Å; K61-E76 WeakPolarHBondContact CE-OE1 3.46Å; K61-E76 HydrophobicContact CG-CG 4.38Å; K61-E76 IonicContact NZ-OE1 3.78Å; K61-E76 PolarHBondContact NZ-OE1 3.01Å
77	P	94.9	Very high	95.5	Very high	97 Å²	97	65.1 Å²	65.1	63%	0.63	36%	0.355	S	S	*	.	P	Polyproline II helix	trans	-60.5	144.2	171.7	-21.2	32.4	0	0	0	111.4	S34	S34-P77 CarbonylContact O-C 3.03Å; S34-P77 WeakPolarHBondContact O-CA 3.42Å
78	W	95.3	Very high	95.5	Very high	38 Å²	38	63.6 Å²	63.6	14%	0.144	35%	0.348	C	S	.	.			trans	-116.8	147.3	173.4	66.8	89.7	0	0	0	111.3	L32 S34 Q36 P58	L32-W78 HydrophobicContact CD1-CH2 4.09Å; L32-W78 HydrophobicContact CD1-CZ2 4.48Å; S34-W78 VanDerWaalsContact CB-CZ3 3.42Å; S34-W78 PolarHBondContact O-N 3.32Å; S34-W78 WeakPolarHBondContact OG-CH2 3.36Å; S34-W78 WeakPolarHBondContact OG-CZ3 3.37Å; Q36-W78 PolarHBondContact O-NE1 3.49Å; P58-W78 HydrophobicContact CG-CE3 4.22Å; P58-W78 HydrophobicContact CG-CH2 4.15Å; P58-W78 HydrophobicContact CG-CZ3 3.59Å
79	E	94.5	Very high	95.6	Very high	196 Å²	196	64.6 Å²	64.6	92%	0.916	36%	0.357	S	S	*	.	S	Bend	trans	-86.3	151.2	173.3	-65.9	-170.7	170	0	0	111.3
80	G	93	Very high	95.7	Very high	49 Å²	49	64.5 Å²	64.5	51%	0.505	36%	0.357	S	S	.	.	S	Bend	trans	71.6	-155.4	179.7	0	0	0	0	0	113.1
81	E	95	Very high	95.9	Very high	86 Å²	86	63.5 Å²	63.5	40%	0.402	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	123	-174.9	-171.9	-168.8	96.6	0	0	109.6	V29 R38	V29-E81 HydrophobicContact CG1-CG 4.35Å; V29-E81 VanDerWaalsContact CG2-OE2 3.28Å; V29-E81 WeakPolarHBondContact CG2-OE2 3.42Å; R38-E81 HydrophobicContact CB-CG 3.91Å; R38-E81 WeakPolarHBondContact CB-OE1 3.49Å; R38-E81 WeakPolarHBondContact CD-OE1 3.48Å; R38-E81 IonicContact CZ-OE1 3.35Å; R38-E81 IonicContact CZ-OE2 2.66Å; R38-E81 IonicContact NE-OE1 2.81Å; R38-E81 PolarHBondContact NE-OE1 3.37Å; R38-E81 IonicContact NE-OE2 3.65Å; R38-E81 IonicContact NH2-OE1 2.87Å; R38-E81 PolarHBondContact NH2-OE1 2.91Å; R38-E81 VanDerWaalsContact NH2-OE1 3.09Å; R38-E81 IonicContact NH2-OE2 3.64Å; R38-E81 PolarHBondContact NH2-OE2 3.37Å
82	R	95.8	Very high	95.8	Very high	92 Å²	92	61.6 Å²	61.6	35%	0.347	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	138	175.4	-178.7	174.6	-90.1	-160	-3.6	109.7	Q36 I37 R38 G84	Q36-R82 PolarHBondContact O-N 2.82Å; I37-R82 WeakPolarHBondContact CA-O 3.17Å; R38-R82 PolarHBondContact N-O 2.89Å; R82-G84 PolarHBondContact O-N 2.86Å
83	D	96.9	Very high	95.7	Very high	80 Å²	80	60.2 Å²	60.2	43%	0.428	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71	114.9	171	177.8	15.5	0	0	0	110	T85 Q86	D83-T85 WeakPolarHBondContact OD1-CB 3.16Å; D83-T85 WeakPolarHBondContact OD1-CG2 3.41Å; D83-T85 PolarHBondContact OD1-N 2.68Å; D83-T85 PolarHBondContact OD1-OG1 2.92Å; D83-T85 PolarHBondContact OD2-OG1 2.97Å; D83-Q86 PolarHBondContact OD2-NE2 2.88Å
84	G	97.2	Very high	95.5	Very high	0 Å²	0	57.1 Å²	57.1	0%	0	31%	0.308	C	S	.	.			trans	-105.6	32.4	177.6	0	0	0	0	0	113	R38 Y54 L55 R82	R38-G84 CarbonylContact O-C 3.58Å; R38-G84 WeakPolarHBondContact O-CA 3.5Å; R38-G84 PolarHBondContact O-N 2.96Å; Y54-G84 CarbonylContact C-O 3.5Å; Y54-G84 WeakPolarHBondContact CA-O 3.39Å; L55-G84 PolarHBondContact N-O 3.12Å; L55-G84 VanDerWaalsContact O-CA 3.28Å; L55-G84 WeakPolarHBondContact O-CA 3.37Å; R82-G84 PolarHBondContact O-N 2.86Å
85	T	96.1	Very high	95.3	Very high	45 Å²	45	55.9 Å²	55.9	28%	0.276	29%	0.292	S	S	.	.	S	Bend	trans	-105.7	0.7	-179.9	66.3	0	0	0	0	113.8	E40 D83	E40-T85 HydrophobicContact CB-CG2 3.9Å; E40-T85 HydrophobicContact CG-CG2 4.25Å; D83-T85 WeakPolarHBondContact OD1-CB 3.16Å; D83-T85 WeakPolarHBondContact OD1-CG2 3.41Å; D83-T85 PolarHBondContact OD1-N 2.68Å; D83-T85 PolarHBondContact OD1-OG1 2.92Å; D83-T85 PolarHBondContact OD2-OG1 2.97Å
86	Q	95.1	Very high	95.1	Very high	135 Å²	135	60 Å²	60	63%	0.631	31%	0.309	S	S	*	.	S	Bend	trans	-119.9	142.1	-174.8	-61.6	-176.8	68.5	0	0	111.7	L55 D83	L55-Q86 VanDerWaalsContact CB-O 3.23Å; L55-Q86 WeakPolarHBondContact CB-O 3.35Å; D83-Q86 PolarHBondContact OD2-NE2 2.88Å
87	Q	95.3	Very high	94.8	Very high	43 Å²	43	57.1 Å²	57.1	20%	0.201	30%	0.299	C	S	.	.	P	Polyproline II helix	trans	-68.3	139.6	175.7	-71.9	-68.4	-0.5	0	0	110.5	L55 P112 N122 H469	L55-Q87 HydrophobicContact CD1-CG 4.25Å; Q87-P112 HydrophobicContact CB-CG 4.4Å; Q87-N122 PolarHBondContact OE1-ND2 2.92Å; Q87-H469 PolarHBondContact NE2-CD2 3.36Å; Q87-H469 PolarHBondContact NE2-CE1 3.23Å; Q87-H469 PolarHBondContact NE2-NE2 3.01Å
88	P	94.9	Very high	94.5	Very high	8 Å²	8	52.6 Å²	52.6	5%	0.052	27%	0.269	C	S	.	.	P	Polyproline II helix	trans	-74.2	165.7	174.8	33.6	-34.9	0	0	0	111.1	Y120	P88-Y120 HydrophobicContact CB-CD1 4.25Å; P88-Y120 HydrophobicContact CB-CD2 3.56Å; P88-Y120 HydrophobicContact CB-CE2 4.31Å; P88-Y120 HydrophobicContact CB-CG 3.56Å; P88-Y120 HydrophobicContact CG-CD2 4.37Å; P88-Y120 HydrophobicContact CG-CG 4.1Å
89	P	97.5	Very high	94.2	Very high	44 Å²	44	53.5 Å²	53.5	29%	0.286	28%	0.279	S	S	.	.	P	Polyproline II helix	trans	-56.4	145.9	166.9	-23.7	34.6	0	0	0	111.9	E113 Q171	P89-E113 CarbonylContact C-O 3.5Å; P89-E113 VanDerWaalsContact CA-O 3.27Å; P89-E113 WeakPolarHBondContact CA-O 3.31Å; P89-E113 WeakPolarHBondContact CB-O 3.29Å; P89-Q171 PolarHBondContact O-NE2 3.38Å
90	M	97.7	Very high	93.8	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	154.8	169.9	-53.8	-171.2	-59	0	0	110.2	Q95 V98 V111 P112 E113 V114 S115 A150	M90-Q95 HydrophobicContact CE-CG 4.07Å; M90-V98 HydrophobicContact CE-CG1 4.42Å; M90-V98 HydrophobicContact CE-CG2 4.37Å; M90-V98 HydrophobicContact SD-CG1 4.27Å; M90-V111 HydrophobicContact CE-CG1 3.4Å; M90-V111 HydrophobicContact SD-CG1 4.16Å; M90-P112 WeakPolarHBondContact CE-O 3.47Å; M90-P112 HydrophobicContact CG-CB 4.11Å; M90-P112 HydrophobicContact CG-CG 4.16Å; M90-E113 PolarHBondContact N-O 2.95Å; M90-V114 HydrophobicContact CB-CG1 4.18Å; M90-V114 HydrophobicContact CE-CG1 4.09Å; M90-V114 CarbonylContact O-C 3.53Å; M90-V114 VanDerWaalsContact O-CA 3.3Å; M90-V114 WeakPolarHBondContact O-CA 3.44Å; M90-S115 PolarHBondContact O-N 2.9Å; M90-A150 HydrophobicContact CB-CB 4.06Å; M90-A150 HydrophobicContact CG-CB 3.46Å; M90-A150 VanDerWaalsContact CG-CB 3.46Å; M90-A150 HydrophobicContact SD-CB 3.43Å; M90-A150 WeakPolarHBondContact SD-CB 3.4Å
91	C	98.2	Very high	93.4	Very high	3 Å²	3	48.9 Å²	48.9	2%	0.02	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.1	151.4	170.5	-63.3	0	0	0	0	111.3	Q93 C118 Y172 L174	C91-Q93 VanDerWaalsContact O-CG 3.3Å; C91-Q93 WeakPolarHBondContact O-CG 3.26Å; C91-Q93 PolarHBondContact O-N 3.09Å; C91-Q93 VanDerWaalsContact O-N 3.16Å; C91-Q93 PolarHBondContact O-NE2 2.59Å; C91-C118 VanDerWaalsContact CA-CB 3.48Å; C91-C118 WeakPolarHBondContact CA-SG 3.48Å; C91-C118 HydrophobicContact CB-CB 3.81Å; C91-C118 WeakPolarHBondContact CB-SG 3.3Å; C91-C118 WeakPolarHBondContact SG-CB 3.27Å; C91-C118 CovalentContact SG-SG 2.04Å; C91-C118 PolarHBondContact SG-SG 2.94Å; C91-Y172 PolarHBondContact SG-O 3.19Å; C91-L174 HydrophobicContact CB-CD1 4.14Å; C91-L174 HydrophobicContact CB-CG 4.21Å
92	V	97.4	Very high	93	Very high	14 Å²	14	45 Å²	45	9%	0.085	23%	0.229	C	C	.	.	S	Bend	trans	-48.1	117.8	179.3	-178.3	0	0	0	0	112.1	S115 E116 L177 Q292 F295 I296	V92-S115 PolarHBondContact N-O 3.45Å; V92-E116 HydrophobicContact CG2-CB 4.46Å; V92-E116 HydrophobicContact CG2-CG 3.65Å; V92-L177 HydrophobicContact CB-CD1 3.84Å; V92-L177 HydrophobicContact CG1-CD1 4.27Å; V92-L177 HydrophobicContact CG2-CD1 3.82Å; V92-Q292 HydrophobicContact CB-CG 4.25Å; V92-Q292 HydrophobicContact CG1-CG 3.64Å; V92-Q292 HydrophobicContact CG2-CG 3.62Å; V92-F295 HydrophobicContact CG1-CB 4.27Å; V92-I296 HydrophobicContact CG1-CD1 4.28Å; V92-I296 HydrophobicContact CG1-CG1 3.71Å
93	Q	95.4	Very high	92.4	Very high	2 Å²	2	45.4 Å²	45.4	1%	0.009	24%	0.237	C	C	.	.	S	Bend	trans	-164.3	175.6	-177.8	66.5	-167.5	-84.1	0	0	110.3	C91 Q95 V98 V114 V147 M148 G149	C91-Q93 VanDerWaalsContact O-CG 3.3Å; C91-Q93 WeakPolarHBondContact O-CG 3.26Å; C91-Q93 PolarHBondContact O-N 3.09Å; C91-Q93 VanDerWaalsContact O-N 3.16Å; C91-Q93 PolarHBondContact O-NE2 2.59Å; Q93-Q95 PolarHBondContact O-N 3.36Å; Q93-V98 VanDerWaalsContact OE1-CG2 3.28Å; Q93-V114 HydrophobicContact CG-CG1 4.03Å; Q93-V147 WeakPolarHBondContact CB-O 3.13Å; Q93-M148 VanDerWaalsContact OE1-CB 3.31Å; Q93-G149 PolarHBondContact NE2-O 3.13Å
94	D	93.4	Very high	91.8	Very high	25 Å²	25	42.5 Å²	42.5	13%	0.134	22%	0.224	C	C	.	.			trans	-77.2	104.1	169.4	-175.8	8.2	0	0	0	111.6	E96 V97 K300	D94-E96 PolarHBondContact O-N 3.26Å; D94-E96 WeakPolarHBondContact OD1-CB 3.18Å; D94-E96 PolarHBondContact OD1-N 3.13Å; D94-V97 HydrophobicContact CB-CG2 4.18Å; D94-V97 PolarHBondContact O-N 3.39Å; D94-V97 WeakPolarHBondContact OD2-CG2 3.46Å; D94-K300 HydrophobicContact CB-CG 4.11Å; D94-K300 WeakPolarHBondContact OD1-CE 3.2Å; D94-K300 IonicContact OD1-NZ 3.72Å; D94-K300 WeakPolarHBondContact OD2-CG 3.5Å
95	Q	91.6	Very high	91.1	Very high	72 Å²	72	44.3 Å²	44.3	34%	0.336	23%	0.233	S	C	.	.	H	α-helix	trans	-61.9	-28.1	178.5	-68.5	178.1	-60.7	0	0	113.4	M90 Q93 V97 V98 V99 P112 V114	M90-Q95 HydrophobicContact CE-CG 4.07Å; Q93-Q95 PolarHBondContact O-N 3.36Å; Q95-V97 VanDerWaalsContact C-N 3.29Å; Q95-V97 PolarHBondContact O-N 3.26Å; Q95-V98 WeakPolarHBondContact O-CB 3.31Å; Q95-V98 PolarHBondContact O-N 3.3Å; Q95-V99 WeakPolarHBondContact O-CG2 3.03Å; Q95-V99 PolarHBondContact O-N 2.99Å; Q95-V99 VanDerWaalsContact O-N 3.07Å; Q95-P112 PolarHBondContact NE2-O 3.34Å; Q95-V114 HydrophobicContact CG-CB 4.39Å; Q95-V114 HydrophobicContact CG-CG1 3.44Å; Q95-V114 VanDerWaalsContact CG-CG1 3.44Å; Q95-V114 HydrophobicContact CG-CG2 4.09Å
96	E	90.1	Very high	90.7	Very high	113 Å²	113	42.7 Å²	42.7	53%	0.528	22%	0.223	S	C	.	.	H	α-helix	trans	-65.3	-36.3	-177.3	-170.1	176.4	171.4	0	0	111.3	D94 V98 V99 N100 K300	D94-E96 PolarHBondContact O-N 3.26Å; D94-E96 WeakPolarHBondContact OD1-CB 3.18Å; D94-E96 PolarHBondContact OD1-N 3.13Å; E96-V98 VanDerWaalsContact C-N 3.34Å; E96-V98 PolarHBondContact O-N 3.01Å; E96-V99 PolarHBondContact O-N 2.87Å; E96-N100 WeakPolarHBondContact O-CB 3.18Å; E96-N100 VanDerWaalsContact O-CG 3.24Å; E96-N100 PolarHBondContact O-N 3.08Å; E96-N100 PolarHBondContact O-ND2 2.86Å; E96-K300 IonicContact OE2-NZ 3.69Å
97	V	86.6	Confident	90.3	Very high	58 Å²	58	37.5 Å²	37.5	35%	0.352	20%	0.2	S	C	.	.	H	α-helix	trans	-64.9	-39.8	175.7	-177.5	0	0	0	0	111	D94 Q95 N100 F101 M148	D94-V97 HydrophobicContact CB-CG2 4.18Å; D94-V97 PolarHBondContact O-N 3.39Å; D94-V97 WeakPolarHBondContact OD2-CG2 3.46Å; Q95-V97 VanDerWaalsContact C-N 3.29Å; Q95-V97 PolarHBondContact O-N 3.26Å; V97-N100 PolarHBondContact O-N 2.78Å; V97-F101 VanDerWaalsContact O-CB 3.31Å; V97-F101 WeakPolarHBondContact O-CB 3.31Å; V97-F101 PolarHBondContact O-N 2.89Å; V97-M148 HydrophobicContact CB-SD 4.19Å; V97-M148 HydrophobicContact CG1-CE 3.89Å; V97-M148 HydrophobicContact CG1-SD 3.34Å; V97-M148 WeakPolarHBondContact CG1-SD 3.39Å
98	V	88.1	Confident	90	Very high	1 Å²	1	39.3 Å²	39.3	1%	0.006	21%	0.211	C	C	.	.	H	α-helix	trans	-64.3	-41.9	177.4	179.7	0	0	0	0	111.3	M90 Q93 Q95 E96 S102 V111	M90-V98 HydrophobicContact CE-CG1 4.42Å; M90-V98 HydrophobicContact CE-CG2 4.37Å; M90-V98 HydrophobicContact SD-CG1 4.27Å; Q93-V98 VanDerWaalsContact OE1-CG2 3.28Å; Q95-V98 WeakPolarHBondContact O-CB 3.31Å; Q95-V98 PolarHBondContact O-N 3.3Å; E96-V98 VanDerWaalsContact C-N 3.34Å; E96-V98 PolarHBondContact O-N 3.01Å; V98-S102 WeakPolarHBondContact O-CB 3.14Å; V98-S102 PolarHBondContact O-N 3.24Å; V98-S102 PolarHBondContact O-OG 2.94Å; V98-V111 HydrophobicContact CB-CG1 4.42Å; V98-V111 HydrophobicContact CG1-CG1 4.05Å; V98-V111 HydrophobicContact CG1-CG2 4.19Å
99	V	88.4	Confident	89.5	Confident	58 Å²	58	39.9 Å²	39.9	35%	0.352	21%	0.212	S	C	.	.	H	α-helix	trans	-61.6	-51.2	174.8	172.8	0	0	0	0	110.5	Q95 E96 F101 S102 I103 V111	Q95-V99 WeakPolarHBondContact O-CG2 3.03Å; Q95-V99 PolarHBondContact O-N 2.99Å; Q95-V99 VanDerWaalsContact O-N 3.07Å; E96-V99 PolarHBondContact O-N 2.87Å; V99-F101 VanDerWaalsContact C-N 3.32Å; V99-F101 PolarHBondContact O-N 3.21Å; V99-S102 PolarHBondContact O-N 2.97Å; V99-S102 VanDerWaalsContact O-N 3.14Å; V99-I103 HydrophobicContact CG1-CD1 3.91Å; V99-I103 WeakPolarHBondContact O-CG1 3.33Å; V99-I103 PolarHBondContact O-N 3.47Å; V99-V111 HydrophobicContact CG2-CB 4.27Å; V99-V111 HydrophobicContact CG2-CG1 4.49Å; V99-V111 HydrophobicContact CG2-CG2 3.72Å
100	N	86.6	Confident	89	Confident	86 Å²	86	43.4 Å²	43.4	46%	0.46	23%	0.233	S	C	.	.	H	α-helix	trans	-61.8	-40.1	-178.3	-72.2	-24.3	0	0	0	112.1	E96 V97 I103 A104	E96-N100 WeakPolarHBondContact O-CB 3.18Å; E96-N100 VanDerWaalsContact O-CG 3.24Å; E96-N100 PolarHBondContact O-N 3.08Å; E96-N100 PolarHBondContact O-ND2 2.86Å; V97-N100 PolarHBondContact O-N 2.78Å; N100-I103 PolarHBondContact O-N 3.29Å; N100-A104 WeakPolarHBondContact O-CB 3.13Å; N100-A104 PolarHBondContact O-N 2.92Å
101	F	84.2	Confident	88.7	Confident	61 Å²	61	45.2 Å²	45.2	27%	0.268	24%	0.244	S	C	.	.	H	α-helix	trans	-61.5	-45.8	174	-177.4	-89.3	0	0	0	111.6	V97 V99 I103 A104 M105 I345	V97-F101 VanDerWaalsContact O-CB 3.31Å; V97-F101 WeakPolarHBondContact O-CB 3.31Å; V97-F101 PolarHBondContact O-N 2.89Å; V99-F101 VanDerWaalsContact C-N 3.32Å; V99-F101 PolarHBondContact O-N 3.21Å; F101-I103 VanDerWaalsContact C-N 3.31Å; F101-I103 PolarHBondContact O-N 3.02Å; F101-A104 PolarHBondContact O-N 3.22Å; F101-M105 HydrophobicContact CD1-CG 4.2Å; F101-M105 HydrophobicContact CE1-CG 3.8Å; F101-M105 HydrophobicContact CE2-CG 4.39Å; F101-M105 HydrophobicContact CZ-CG 3.91Å; F101-M105 WeakPolarHBondContact O-CG 3.27Å; F101-M105 PolarHBondContact O-N 3.31Å; F101-I345 HydrophobicContact CD2-CD1 3.63Å; F101-I345 HydrophobicContact CD2-CG1 4.09Å; F101-I345 HydrophobicContact CE2-CD1 3.2Å; F101-I345 HydrophobicContact CE2-CG1 3.91Å; F101-I345 HydrophobicContact CZ-CD1 4.02Å
102	S	86	Confident	88.4	Confident	5 Å²	5	46 Å²	46	4%	0.035	25%	0.249	C	C	.	.	H	α-helix	trans	-61.4	-41	179.2	-55.7	0	0	0	0	111.6	V98 V99 M105 S106 M107	V98-S102 WeakPolarHBondContact O-CB 3.14Å; V98-S102 PolarHBondContact O-N 3.24Å; V98-S102 PolarHBondContact O-OG 2.94Å; V99-S102 PolarHBondContact O-N 2.97Å; V99-S102 VanDerWaalsContact O-N 3.14Å; S102-M105 PolarHBondContact O-N 2.81Å; S102-S106 PolarHBondContact O-N 3.23Å; S102-M107 PolarHBondContact O-N 3.49Å
103	I	84.7	Confident	88.3	Confident	100 Å²	100	52.9 Å²	52.9	51%	0.513	28%	0.281	S	S	.	.	H	α-helix	trans	-63.2	-48.1	174.9	-66.5	168	0	0	0	110.9	V99 N100 F101 M105 S106	V99-I103 HydrophobicContact CG1-CD1 3.91Å; V99-I103 WeakPolarHBondContact O-CG1 3.33Å; V99-I103 PolarHBondContact O-N 3.47Å; N100-I103 PolarHBondContact O-N 3.29Å; F101-I103 VanDerWaalsContact C-N 3.31Å; F101-I103 PolarHBondContact O-N 3.02Å; I103-M105 PolarHBondContact O-N 3.46Å; I103-S106 PolarHBondContact O-N 3.1Å
104	A	83.2	Confident	88.3	Confident	20 Å²	20	53.7 Å²	53.7	17%	0.165	29%	0.286	C	S	.	.	H	α-helix	trans	-57.5	-40.4	179.3	0	0	0	0	0	111.5	N100 F101 S106 W344 T442	N100-A104 WeakPolarHBondContact O-CB 3.13Å; N100-A104 PolarHBondContact O-N 2.92Å; F101-A104 PolarHBondContact O-N 3.22Å; A104-S106 VanDerWaalsContact C-N 3.25Å; A104-S106 PolarHBondContact O-N 2.99Å; A104-W344 HydrophobicContact CB-CH2 3.75Å; A104-W344 HydrophobicContact CB-CZ2 4.21Å; A104-T442 WeakPolarHBondContact O-CG2 3.29Å
105	M	83.6	Confident	88.5	Confident	37 Å²	37	54.1 Å²	54.1	18%	0.182	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.2	5.5	179.1	-61.8	-56	-76.4	0	0	114.1	F101 S102 I103 M107 W344 I345	F101-M105 HydrophobicContact CD1-CG 4.2Å; F101-M105 HydrophobicContact CE1-CG 3.8Å; F101-M105 HydrophobicContact CE2-CG 4.39Å; F101-M105 HydrophobicContact CZ-CG 3.91Å; F101-M105 WeakPolarHBondContact O-CG 3.27Å; F101-M105 PolarHBondContact O-N 3.31Å; S102-M105 PolarHBondContact O-N 2.81Å; I103-M105 PolarHBondContact O-N 3.46Å; M105-M107 HydrophobicContact CB-CG 3.9Å; M105-M107 HydrophobicContact CB-SD 3.57Å; M105-M107 VanDerWaalsContact CB-SD 3.57Å; M105-M107 HydrophobicContact CG-SD 4.4Å; M105-M107 PolarHBondContact O-N 2.74Å; M105-W344 HydrophobicContact SD-CZ3 4.25Å; M105-I345 HydrophobicContact CG-CD1 4.27Å; M105-I345 HydrophobicContact SD-CD1 3.75Å
106	S	86.4	Confident	88.8	Confident	11 Å²	11	51.9 Å²	51.9	8%	0.077	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	56.1	37	-177.3	-54.7	0	0	0	0	113.5	S102 I103 A104 P443 N473	S102-S106 PolarHBondContact O-N 3.23Å; I103-S106 PolarHBondContact O-N 3.1Å; A104-S106 VanDerWaalsContact C-N 3.25Å; A104-S106 PolarHBondContact O-N 2.99Å; S106-P443 WeakPolarHBondContact OG-CD 3.41Å; S106-N473 PolarHBondContact O-N 3.35Å
107	M	87.6	Confident	89.2	Confident	27 Å²	27	48.6 Å²	48.6	13%	0.133	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	127	179.4	-65	166.8	63.3	0	0	109.9	S102 M105 W466 I470 R471 I472	S102-M107 PolarHBondContact O-N 3.49Å; M105-M107 HydrophobicContact CB-CG 3.9Å; M105-M107 HydrophobicContact CB-SD 3.57Å; M105-M107 VanDerWaalsContact CB-SD 3.57Å; M105-M107 HydrophobicContact CG-SD 4.4Å; M105-M107 PolarHBondContact O-N 2.74Å; M107-W466 HydrophobicContact CE-CZ3 4.24Å; M107-I470 HydrophobicContact CE-CD1 3.16Å; M107-I470 HydrophobicContact CE-CG1 3.99Å; M107-R471 CarbonylContact C-O 3.5Å; M107-R471 WeakPolarHBondContact CA-O 3.43Å; M107-I472 HydrophobicContact CG-CD1 3.91Å
108	D	88.1	Confident	89.8	Confident	81 Å²	81	45.9 Å²	45.9	43%	0.433	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	112.9	164.2	173.7	30.4	0	0	0	108.8	I470 R471 N473	D108-I470 CarbonylContact O-C 3.57Å; D108-I470 VanDerWaalsContact O-CA 3.29Å; D108-I470 WeakPolarHBondContact O-CA 3.45Å; D108-R471 PolarHBondContact N-O 2.7Å; D108-R471 PolarHBondContact O-N 3.4Å; D108-N473 WeakPolarHBondContact CB-ND2 3.3Å; D108-N473 WeakPolarHBondContact CB-OD1 3.43Å
109	F	85.9	Confident	90.3	Very high	19 Å²	19	45.9 Å²	45.9	8%	0.083	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.2	128	-171.3	170.2	-116.8	0	0	0	109.3	V111 P112 S152 Q153 I470	F109-V111 HydrophobicContact CD1-CG2 3.79Å; F109-V111 HydrophobicContact CE1-CB 4.24Å; F109-V111 HydrophobicContact CE1-CG2 3.84Å; F109-V111 PolarHBondContact O-N 3.31Å; F109-P112 VanDerWaalsContact CZ-CD 3.46Å; F109-P112 HydrophobicContact CZ-CG 4.26Å; F109-S152 WeakPolarHBondContact CE2-O 3.42Å; F109-S152 WeakPolarHBondContact CZ-O 3.38Å; F109-S152 WeakPolarHBondContact CZ-OG 3.34Å; F109-Q153 HydrophobicContact CE1-CG 4.18Å; F109-Q153 HydrophobicContact CZ-CG 4.46Å; F109-I470 HydrophobicContact CB-CD1 4.13Å; F109-I470 HydrophobicContact CB-CG1 4.03Å; F109-I470 HydrophobicContact CD2-CB 4.19Å; F109-I470 HydrophobicContact CD2-CD1 4.09Å; F109-I470 HydrophobicContact CD2-CG1 4.34Å; F109-I470 HydrophobicContact CG-CD1 4.17Å; F109-I470 HydrophobicContact CG-CG1 4.47Å
110	T	86.9	Confident	90.8	Very high	119 Å²	119	44.3 Å²	44.3	73%	0.73	24%	0.238	S	C	*	.			trans	-79.9	108.5	170.2	-56.9	0	0	0	0	109	P112	T110-P112 VanDerWaalsContact O-CD 3.24Å; T110-P112 WeakPolarHBondContact O-CD 3.41Å
111	V	89.5	Confident	91.4	Very high	37 Å²	37	40.2 Å²	40.2	22%	0.224	22%	0.216	C	C	.	.	P	Polyproline II helix	trans	-66.2	118.6	177.3	-177.8	0	0	0	0	110	M90 V98 V99 F109	M90-V111 HydrophobicContact CE-CG1 3.4Å; M90-V111 HydrophobicContact SD-CG1 4.16Å; V98-V111 HydrophobicContact CB-CG1 4.42Å; V98-V111 HydrophobicContact CG1-CG1 4.05Å; V98-V111 HydrophobicContact CG1-CG2 4.19Å; V99-V111 HydrophobicContact CG2-CB 4.27Å; V99-V111 HydrophobicContact CG2-CG1 4.49Å; V99-V111 HydrophobicContact CG2-CG2 3.72Å; F109-V111 HydrophobicContact CD1-CG2 3.79Å; F109-V111 HydrophobicContact CE1-CB 4.24Å; F109-V111 HydrophobicContact CE1-CG2 3.84Å; F109-V111 PolarHBondContact O-N 3.31Å
112	P	92.5	Very high	92.1	Very high	20 Å²	20	37.3 Å²	37.3	13%	0.13	20%	0.203	C	C	.	.	P	Polyproline II helix	trans	-66.7	165.1	177.9	-20	32.2	0	0	0	112.8	Q87 M90 Q95 F109 T110	Q87-P112 HydrophobicContact CB-CG 4.4Å; M90-P112 WeakPolarHBondContact CE-O 3.47Å; M90-P112 HydrophobicContact CG-CB 4.11Å; M90-P112 HydrophobicContact CG-CG 4.16Å; Q95-P112 PolarHBondContact NE2-O 3.34Å; F109-P112 VanDerWaalsContact CZ-CD 3.46Å; F109-P112 HydrophobicContact CZ-CG 4.26Å; T110-P112 VanDerWaalsContact O-CD 3.24Å; T110-P112 WeakPolarHBondContact O-CD 3.41Å
113	E	94.9	Very high	92.7	Very high	159 Å²	159	37.1 Å²	37.1	74%	0.743	20%	0.201	S	C	*	.	P	Polyproline II helix	trans	-62.7	160.5	169.4	-65.3	-171.3	168.4	0	0	111.8	P89 M90	P89-E113 CarbonylContact C-O 3.5Å; P89-E113 VanDerWaalsContact CA-O 3.27Å; P89-E113 WeakPolarHBondContact CA-O 3.31Å; P89-E113 WeakPolarHBondContact CB-O 3.29Å; M90-E113 PolarHBondContact N-O 2.95Å
114	V	96.8	Very high	93.4	Very high	19 Å²	19	32.3 Å²	32.3	12%	0.115	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	137.3	173.7	-74	0	0	0	0	111.4	M90 Q93 Q95 Q292 I296	M90-V114 HydrophobicContact CB-CG1 4.18Å; M90-V114 HydrophobicContact CE-CG1 4.09Å; M90-V114 CarbonylContact O-C 3.53Å; M90-V114 VanDerWaalsContact O-CA 3.3Å; M90-V114 WeakPolarHBondContact O-CA 3.44Å; Q93-V114 HydrophobicContact CG-CG1 4.03Å; Q95-V114 HydrophobicContact CG-CB 4.39Å; Q95-V114 HydrophobicContact CG-CG1 3.44Å; Q95-V114 VanDerWaalsContact CG-CG1 3.44Å; Q95-V114 HydrophobicContact CG-CG2 4.09Å; V114-Q292 PolarHBondContact O-NE2 3.31Å; V114-I296 HydrophobicContact CG2-CD1 3.93Å
115	S	97.8	Very high	94.1	Very high	34 Å²	34	31.8 Å²	31.8	24%	0.238	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146	153.5	178.4	-175.1	0	0	0	0	110.7	M90 V92 D117 C118	M90-S115 PolarHBondContact O-N 2.9Å; V92-S115 PolarHBondContact N-O 3.45Å; S115-D117 VanDerWaalsContact C-N 3.28Å; S115-D117 PolarHBondContact OG-N 2.93Å; S115-C118 WeakPolarHBondContact O-CB 3.29Å
116	E	98.1	Very high	94.7	Very high	24 Å²	24	30.3 Å²	30.3	11%	0.112	17%	0.165	C	C	.	.	S	Bend	trans	-68.8	-30.2	163.1	-72.5	-176.7	-111.3	0	0	111.8	P63 V64 R68 V92 C118 L177	P63-E116 VanDerWaalsContact CD-O 3.23Å; P63-E116 WeakPolarHBondContact CD-O 3.3Å; P63-E116 VanDerWaalsContact CG-O 3.24Å; P63-E116 WeakPolarHBondContact CG-O 3.36Å; V64-E116 HydrophobicContact CG1-CB 3.78Å; R68-E116 IonicContact CZ-OE1 3.59Å; R68-E116 IonicContact CZ-OE2 3.86Å; R68-E116 IonicContact NE-OE1 2.62Å; R68-E116 IonicContact NE-OE2 3.83Å; R68-E116 PolarHBondContact NE-OE2 3.43Å; R68-E116 VanDerWaalsContact NH2-CD 3.35Å; R68-E116 IonicContact NH2-OE1 2.74Å; R68-E116 PolarHBondContact NH2-OE1 2.81Å; R68-E116 IonicContact NH2-OE2 2.7Å; R68-E116 PolarHBondContact NH2-OE2 2.81Å; V92-E116 HydrophobicContact CG2-CB 4.46Å; V92-E116 HydrophobicContact CG2-CG 3.65Å; E116-C118 VanDerWaalsContact C-N 3.29Å; E116-C118 PolarHBondContact O-N 2.91Å; E116-L177 HydrophobicContact CG-CD1 3.98Å
117	D	98	Very high	95.1	Very high	45 Å²	45	30.2 Å²	30.2	24%	0.241	17%	0.165	C	C	.	.			trans	-75.6	83.6	167.8	-176.8	15.8	0	0	0	109.6	P62 S115 Y120	P62-D117 HydrophobicContact CB-CB 3.93Å; P62-D117 HydrophobicContact CG-CB 4.39Å; P62-D117 WeakPolarHBondContact CG-OD1 3.43Å; S115-D117 VanDerWaalsContact C-N 3.28Å; S115-D117 PolarHBondContact OG-N 2.93Å; D117-Y120 WeakPolarHBondContact O-CE2 3.35Å; D117-Y120 WeakPolarHBondContact OD1-CE2 3.45Å; D117-Y120 PolarHBondContact OD1-OH 2.68Å; D117-Y120 VanDerWaalsContact OD1-OH 3.1Å; D117-Y120 PolarHBondContact OD2-OH 3.01Å
118	C	98.5	Very high	95.2	Very high	1 Å²	1	33.1 Å²	33.1	1%	0.007	18%	0.178	C	C	.	.			trans	-133.7	5.1	-174	71.2	0	0	0	0	114.3	C91 S115 E116 Y120 Q171	C91-C118 VanDerWaalsContact CA-CB 3.48Å; C91-C118 WeakPolarHBondContact CA-SG 3.48Å; C91-C118 HydrophobicContact CB-CB 3.81Å; C91-C118 WeakPolarHBondContact CB-SG 3.3Å; C91-C118 WeakPolarHBondContact SG-CB 3.27Å; C91-C118 CovalentContact SG-SG 2.04Å; C91-C118 PolarHBondContact SG-SG 2.94Å; S115-C118 WeakPolarHBondContact O-CB 3.29Å; E116-C118 VanDerWaalsContact C-N 3.29Å; E116-C118 PolarHBondContact O-N 2.91Å; C118-Y120 VanDerWaalsContact C-CD2 3.42Å; C118-Y120 PolarHBondContact O-N 3.37Å; C118-Q171 VanDerWaalsContact O-CB 3.3Å; C118-Q171 WeakPolarHBondContact O-CB 3.32Å; C118-Q171 PolarHBondContact O-NE2 2.8Å
119	L	98.8	Very high	95.2	Very high	1 Å²	1	30.7 Å²	30.7	1%	0.005	17%	0.169	C	C	.	.			trans	-81.4	70.1	-175.3	-60.4	-172.1	0	0	0	112.4	F59 A60 P63 P72 R173 D195	F59-L119 WeakPolarHBondContact CD1-O 3.47Å; F59-L119 HydrophobicContact CE1-CB 4.16Å; F59-L119 HydrophobicContact CE2-CB 4.14Å; F59-L119 HydrophobicContact CZ-CB 3.83Å; F59-L119 HydrophobicContact CZ-CD2 4.01Å; F59-L119 HydrophobicContact CZ-CG 4.44Å; F59-L119 PolarHBondContact N-O 2.78Å; F59-L119 VanDerWaalsContact N-O 3.16Å; A60-L119 HydrophobicContact CB-CB 4.02Å; A60-L119 HydrophobicContact CB-CD1 3.68Å; P63-L119 HydrophobicContact CB-CD1 4.28Å; P63-L119 HydrophobicContact CG-CD1 3.91Å; P63-L119 HydrophobicContact CG-CG 4.03Å; P72-L119 HydrophobicContact CB-CD1 4.25Å; L119-R173 HydrophobicContact CD2-CG 4.19Å; L119-D195 HydrophobicContact CD2-CB 4Å; L119-D195 WeakPolarHBondContact CD2-OD2 3.43Å
120	Y	98.8	Very high	95.2	Very high	25 Å²	25	31.7 Å²	31.7	10%	0.098	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	156.4	-176.5	-62.9	-85.2	0	0	0	112.1	G56 I57 P58 F59 P88 D117 C118 Q171	G56-Y120 VanDerWaalsContact O-CD1 3.24Å; G56-Y120 WeakPolarHBondContact O-CD1 3.23Å; I57-Y120 CarbonylContact O-C 3.53Å; I57-Y120 VanDerWaalsContact O-CA 3.26Å; I57-Y120 WeakPolarHBondContact O-CA 3.36Å; P58-Y120 HydrophobicContact CB-CD1 4.07Å; P58-Y120 HydrophobicContact CB-CE1 3.84Å; F59-Y120 WeakPolarHBondContact CE1-O 3.37Å; P88-Y120 HydrophobicContact CB-CD1 4.25Å; P88-Y120 HydrophobicContact CB-CD2 3.56Å; P88-Y120 HydrophobicContact CB-CE2 4.31Å; P88-Y120 HydrophobicContact CB-CG 3.56Å; P88-Y120 HydrophobicContact CG-CD2 4.37Å; P88-Y120 HydrophobicContact CG-CG 4.1Å; D117-Y120 WeakPolarHBondContact O-CE2 3.35Å; D117-Y120 WeakPolarHBondContact OD1-CE2 3.45Å; D117-Y120 PolarHBondContact OD1-OH 2.68Å; D117-Y120 VanDerWaalsContact OD1-OH 3.1Å; D117-Y120 PolarHBondContact OD2-OH 3.01Å; C118-Y120 VanDerWaalsContact C-CD2 3.42Å; C118-Y120 PolarHBondContact O-N 3.37Å; Y120-Q171 PolarHBondContact O-N 3.16Å
121	L	98.9	Very high	95	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	158.5	171.4	59.5	81.4	0	0	0	111.8	G56 I57 F59 V123 V168 I169 I170 A199 W202	G56-L121 PolarHBondContact N-O 3.31Å; I57-L121 HydrophobicContact CB-CD1 3.87Å; I57-L121 HydrophobicContact CB-CG 4.38Å; I57-L121 HydrophobicContact CD1-CD1 3.87Å; I57-L121 HydrophobicContact CG1-CD1 4.45Å; I57-L121 HydrophobicContact CG2-CD1 4.32Å; I57-L121 PolarHBondContact N-O 3.46Å; I57-L121 PolarHBondContact O-N 2.78Å; F59-L121 HydrophobicContact CB-CD2 3.71Å; F59-L121 HydrophobicContact CB-CG 4.33Å; F59-L121 HydrophobicContact CD1-CB 4.13Å; F59-L121 HydrophobicContact CD1-CD2 3.89Å; F59-L121 HydrophobicContact CD1-CG 4.09Å; F59-L121 HydrophobicContact CG-CD2 4.09Å; L121-V123 HydrophobicContact CD1-CG2 3.68Å; L121-V168 HydrophobicContact CB-CG1 4.37Å; L121-V168 HydrophobicContact CD1-CG1 4.18Å; L121-V168 HydrophobicContact CD2-CG1 4.37Å; L121-I169 CarbonylContact C-O 3.5Å; L121-I169 VanDerWaalsContact CA-O 3.32Å; L121-I169 WeakPolarHBondContact CA-O 3.39Å; L121-I170 HydrophobicContact CB-CB 4.34Å; L121-I170 HydrophobicContact CB-CG2 3.91Å; L121-I170 HydrophobicContact CD2-CG2 4.36Å; L121-A199 HydrophobicContact CD2-CB 4.33Å; L121-W202 HydrophobicContact CD1-CD2 4.45Å; L121-W202 HydrophobicContact CD1-CE3 3.93Å; L121-W202 HydrophobicContact CD1-CH2 3.77Å; L121-W202 HydrophobicContact CD1-CZ2 4.29Å; L121-W202 HydrophobicContact CD1-CZ3 3.57Å; L121-W202 HydrophobicContact CD2-CD2 3.8Å; L121-W202 HydrophobicContact CD2-CE3 3.46Å; L121-W202 VanDerWaalsContact CD2-CE3 3.46Å; L121-W202 HydrophobicContact CD2-CG 4.26Å; L121-W202 HydrophobicContact CD2-CZ3 3.99Å; L121-W202 HydrophobicContact CG-CE3 4.33Å; L121-W202 HydrophobicContact CG-CZ3 4.45Å
122	N	98.8	Very high	94.9	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	140	176.3	-62.6	-23.8	0	0	0	109.4	Y54 L55 G56 Q87 Y124 V168 I169	Y54-N122 CarbonylContact O-C 3.58Å; Y54-N122 WeakPolarHBondContact O-CA 3.39Å; L55-N122 VanDerWaalsContact CA-OD1 3.27Å; L55-N122 WeakPolarHBondContact CA-OD1 3.44Å; L55-N122 HydrophobicContact CD2-CB 3.77Å; G56-N122 PolarHBondContact N-OD1 3.43Å; Q87-N122 PolarHBondContact OE1-ND2 2.92Å; N122-Y124 HydrophobicContact CB-CE2 3.79Å; N122-V168 CarbonylContact O-C 3.54Å; N122-V168 VanDerWaalsContact O-CA 3.26Å; N122-V168 WeakPolarHBondContact O-CA 3.33Å; N122-I169 HydrophobicContact CB-CB 4.41Å; N122-I169 PolarHBondContact N-O 3Å; N122-I169 PolarHBondContact O-N 3.47Å
123	V	98.9	Very high	94.9	Very high	0 Å²	0	40 Å²	40	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	131.9	177.7	-178.7	0	0	0	0	110.4	Y54 I57 L121 V166 V168 W202 I207 F210	Y54-V123 PolarHBondContact N-O 2.9Å; Y54-V123 PolarHBondContact O-N 2.88Å; I57-V123 HydrophobicContact CD1-CB 4.21Å; I57-V123 HydrophobicContact CD1-CG2 3.69Å; L121-V123 HydrophobicContact CD1-CG2 3.68Å; V123-V166 HydrophobicContact CG1-CG1 4.04Å; V123-V168 HydrophobicContact CG2-CG1 4.41Å; V123-V168 HydrophobicContact CG2-CG2 4.28Å; V123-W202 HydrophobicContact CG2-CH2 4.02Å; V123-W202 HydrophobicContact CG2-CZ3 4.11Å; V123-I207 HydrophobicContact CG1-CD1 4.14Å; V123-I207 HydrophobicContact CG2-CD1 4.43Å; V123-F210 HydrophobicContact CB-CD1 4.24Å; V123-F210 HydrophobicContact CB-CE1 4.37Å; V123-F210 HydrophobicContact CG1-CB 3.95Å; V123-F210 HydrophobicContact CG1-CD1 3.75Å; V123-F210 HydrophobicContact CG1-CE1 4.36Å; V123-F210 HydrophobicContact CG1-CG 3.82Å
124	Y	98.6	Very high	95	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	120.9	176.7	-55.9	-102.3	0	0	0	108.2	V51 R53 N122 D155 S157 T160 V166 T167 I169	V51-Y124 HydrophobicContact CG1-CD1 4.33Å; R53-Y124 HydrophobicContact CB-CD1 4.43Å; R53-Y124 HydrophobicContact CG-CD1 3.97Å; R53-Y124 HydrophobicContact CG-CE1 3.74Å; N122-Y124 HydrophobicContact CB-CE2 3.79Å; Y124-D155 WeakPolarHBondContact CE1-OD1 3.1Å; Y124-S157 WeakPolarHBondContact CD1-OG 3.46Å; Y124-T160 PolarHBondContact O-OG1 2.78Å; Y124-V166 WeakPolarHBondContact O-CA 3.44Å; Y124-T167 PolarHBondContact N-O 3.31Å; Y124-T167 PolarHBondContact O-N 2.95Å; Y124-I169 HydrophobicContact CD2-CD1 4.35Å; Y124-I169 HydrophobicContact CD2-CG1 4.41Å; Y124-I169 HydrophobicContact CE2-CD1 3.68Å; Y124-I169 HydrophobicContact CE2-CG1 3.96Å
125	T	98.2	Very high	95	Very high	8 Å²	8	36.9 Å²	36.9	5%	0.049	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	141.6	-179.3	-175	0	0	0	0	111.6	V51 K52 Y54 A127 F210	V51-T125 CarbonylContact C-O 3.6Å; V51-T125 WeakPolarHBondContact CA-O 3.2Å; V51-T125 WeakPolarHBondContact CG1-O 3.48Å; K52-T125 HydrophobicContact CB-CG2 3.77Å; K52-T125 HydrophobicContact CD-CG2 4.5Å; K52-T125 PolarHBondContact N-O 3.13Å; K52-T125 PolarHBondContact O-N 3.09Å; Y54-T125 HydrophobicContact CE2-CG2 4.17Å; T125-A127 PolarHBondContact O-N 2.92Å; T125-F210 VanDerWaalsContact CB-O 3.29Å; T125-F210 WeakPolarHBondContact CB-O 3.34Å; T125-F210 PolarHBondContact OG1-O 3.32Å
126	P	96.9	Very high	95.1	Very high	6 Å²	6	36.1 Å²	36.1	4%	0.039	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.1	130.9	-179.3	-18.3	31.7	0	0	0	111.1	E128 A129 L135 T160	P126-E128 VanDerWaalsContact C-N 3.33Å; P126-E128 PolarHBondContact O-N 3.27Å; P126-A129 HydrophobicContact CB-CB 4.23Å; P126-L135 HydrophobicContact CG-CD1 3.67Å; P126-T160 HydrophobicContact CB-CG2 4.49Å; P126-T160 HydrophobicContact CG-CG2 3.78Å
127	A	94.4	Very high	95.1	Very high	10 Å²	10	35 Å²	35	8%	0.083	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-33	-177.8	0	0	0	0	0	112.7	Y41 R50 K52 T125 A129	Y41-A127 HydrophobicContact CD1-CB 3.97Å; Y41-A127 HydrophobicContact CE1-CB 3.65Å; R50-A127 HydrophobicContact CB-CB 3.82Å; R50-A127 WeakPolarHBondContact O-CB 3.49Å; R50-A127 PolarHBondContact O-N 3.33Å; K52-A127 HydrophobicContact CG-CB 4.11Å; T125-A127 PolarHBondContact O-N 2.92Å; A127-A129 VanDerWaalsContact C-N 3.33Å
128	E	91	Very high	95.2	Very high	88 Å²	88	32.9 Å²	32.9	41%	0.411	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.5	8.1	-176.8	-62.5	74.6	-150.6	0	0	113.4	R50 P126	R50-E128 WeakPolarHBondContact CB-OE1 3.36Å; R50-E128 IonicContact CZ-OE1 2.89Å; R50-E128 PolarHBondContact N-OE1 2.94Å; R50-E128 PolarHBondContact N-OE2 2.92Å; R50-E128 IonicContact NE-OE1 3.66Å; R50-E128 PolarHBondContact NE-OE1 3.48Å; R50-E128 IonicContact NH2-OE1 3.38Å; P126-E128 VanDerWaalsContact C-N 3.33Å; P126-E128 PolarHBondContact O-N 3.27Å
129	A	87.6	Confident	95.2	Very high	30 Å²	30	32.9 Å²	32.9	25%	0.248	18%	0.183	C	C	.	.			trans	-67.2	135.8	174.7	0	0	0	0	0	110.9	P126 A127 L135	P126-A129 HydrophobicContact CB-CB 4.23Å; A127-A129 VanDerWaalsContact C-N 3.33Å; A129-L135 HydrophobicContact CB-CD1 3.88Å
130	A	86.1	Confident	95.2	Very high	39 Å²	39	32.9 Å²	32.9	32%	0.322	18%	0.183	S	C	.	.			trans	-67.1	134	175.9	0	0	0	0	0	110.1	E132 V133	A130-E132 WeakPolarHBondContact CB-OE1 3.32Å; A130-E132 PolarHBondContact O-N 3.19Å; A130-V133 HydrophobicContact CB-CG2 4.01Å; A130-V133 PolarHBondContact O-N 3.3Å
131	P	81.8	Confident	95.2	Very high	132 Å²	132	31.7 Å²	31.7	86%	0.857	18%	0.179	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.3	-27.6	-173.4	-27.8	35.3	0	0	0	115.6
132	E	87.6	Confident	95.2	Very high	151 Å²	151	31.8 Å²	31.8	71%	0.706	18%	0.179	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.1	-13.9	179.6	66.8	-82.9	-167.9	0	0	114.1	A130	A130-E132 WeakPolarHBondContact CB-OE1 3.32Å; A130-E132 PolarHBondContact O-N 3.19Å
133	V	92.3	Very high	95.1	Very high	67 Å²	67	31.9 Å²	31.9	41%	0.406	18%	0.18	S	C	.	.	P	Polyproline II helix	trans	-89.3	117.7	-177.8	177.8	0	0	0	0	109.5	A130 L135	A130-V133 HydrophobicContact CB-CG2 4.01Å; A130-V133 PolarHBondContact O-N 3.3Å; V133-L135 HydrophobicContact CG1-CD2 3.77Å; V133-L135 HydrophobicContact CG1-CG 4.47Å
134	K	96.3	Very high	94.9	Very high	107 Å²	107	32.8 Å²	32.8	47%	0.465	19%	0.189	S	C	.	.	P	Polyproline II helix	trans	-85.7	119.2	169.3	-60.1	-172.7	172.4	-172.5	0	109.6	E208 D213	K134-E208 IonicContact NZ-OE1 2.67Å; K134-E208 PolarHBondContact NZ-OE1 3.33Å; K134-E208 IonicContact NZ-OE2 2.88Å; K134-E208 PolarHBondContact NZ-OE2 2.97Å; K134-D213 HydrophobicContact CB-CB 3.73Å
135	L	98.6	Very high	94.6	Very high	6 Å²	6	33.3 Å²	33.3	3%	0.031	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	146.7	-175.5	-63.4	177	0	0	0	111.7	P126 A129 V133 V166 G211 G212 D213	P126-L135 HydrophobicContact CG-CD1 3.67Å; A129-L135 HydrophobicContact CB-CD1 3.88Å; V133-L135 HydrophobicContact CG1-CD2 3.77Å; V133-L135 HydrophobicContact CG1-CG 4.47Å; L135-V166 HydrophobicContact CB-CG2 4.1Å; L135-V166 HydrophobicContact CD1-CG2 4.33Å; L135-G211 PolarHBondContact N-O 3.48Å; L135-G212 CarbonylContact O-C 3.46Å; L135-G212 WeakPolarHBondContact O-CA 3.36Å; L135-D213 WeakPolarHBondContact O-CB 3.31Å; L135-D213 PolarHBondContact O-N 3.36Å
136	P	98.8	Very high	94.5	Very high	18 Å²	18	33.1 Å²	33.1	12%	0.117	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59	147.7	171.9	31.1	-39.5	0	0	0	110.9	I165 V166 S216 A495 R496	P136-I165 HydrophobicContact CG-CB 4.12Å; P136-I165 HydrophobicContact CG-CG2 3.62Å; P136-V166 PolarHBondContact O-N 3Å; P136-S216 WeakPolarHBondContact CA-O 3.47Å; P136-A495 WeakPolarHBondContact CB-O 3.31Å; P136-R496 HydrophobicContact CG-CB 4.48Å; P136-R496 HydrophobicContact CG-CG 3.71Å
137	V	98.9	Very high	94.4	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	131.1	-176.7	-173.7	0	0	0	0	109.1	V139 V166 V168 V203 I207 S216 V217 T218	V137-V139 HydrophobicContact CG1-CG2 4.1Å; V137-V166 CarbonylContact C-O 3.58Å; V137-V166 VanDerWaalsContact CA-O 3.31Å; V137-V166 WeakPolarHBondContact CA-O 3.36Å; V137-V166 HydrophobicContact CG1-CG1 4.4Å; V137-V166 HydrophobicContact CG2-CB 4.27Å; V137-V168 HydrophobicContact CG1-CG2 3.77Å; V137-V203 HydrophobicContact CG1-CG1 4.22Å; V137-I207 HydrophobicContact CG1-CD1 4.47Å; V137-I207 HydrophobicContact CG1-CG1 4.03Å; V137-I207 HydrophobicContact CG2-CG1 3.75Å; V137-I207 HydrophobicContact CG2-CG2 4.04Å; V137-S216 PolarHBondContact N-O 2.89Å; V137-V217 HydrophobicContact CB-CG2 4.15Å; V137-V217 HydrophobicContact CG2-CG2 4.48Å; V137-V217 CarbonylContact O-C 3.5Å; V137-V217 WeakPolarHBondContact O-CA 3.16Å; V137-T218 PolarHBondContact O-N 2.85Å
138	M	98.9	Very high	94.3	Very high	2 Å²	2	37.3 Å²	37.3	1%	0.01	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	118.1	167.4	-175.3	175.9	-66.4	0	0	109.4	L159 I165 V166 T167 V168 T218 A220 I246 W491 A495	M138-L159 HydrophobicContact SD-CD2 3.82Å; M138-I165 HydrophobicContact CB-CD1 4.09Å; M138-I165 HydrophobicContact CE-CD1 4.19Å; M138-V166 PolarHBondContact N-O 2.87Å; M138-T167 CarbonylContact O-C 3.56Å; M138-T167 WeakPolarHBondContact O-CA 3.48Å; M138-V168 PolarHBondContact O-N 2.92Å; M138-T218 CarbonylContact C-O 3.59Å; M138-T218 WeakPolarHBondContact CA-O 3.33Å; M138-A220 HydrophobicContact CG-CB 4.11Å; M138-A220 HydrophobicContact SD-CB 4.2Å; M138-I246 HydrophobicContact CE-CD1 4.06Å; M138-W491 HydrophobicContact CE-CB 4.25Å; M138-A495 HydrophobicContact CE-CB 3.88Å
139	V	99	Very high	94.5	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	113.6	176.2	-174.8	0	0	0	0	108.5	V137 V168 I170 L200 V203 V217 T218 I219 A220	V137-V139 HydrophobicContact CG1-CG2 4.1Å; V139-V168 CarbonylContact C-O 3.56Å; V139-V168 VanDerWaalsContact CA-O 3.32Å; V139-V168 WeakPolarHBondContact CA-O 3.09Å; V139-V168 HydrophobicContact CG1-CB 4.48Å; V139-V168 HydrophobicContact CG2-CB 4.18Å; V139-I170 HydrophobicContact CG1-CD1 4.47Å; V139-I170 HydrophobicContact CG1-CG2 3.86Å; V139-L200 HydrophobicContact CB-CD2 4.22Å; V139-L200 HydrophobicContact CG1-CD2 4.03Å; V139-L200 HydrophobicContact CG2-CD2 4.12Å; V139-V203 HydrophobicContact CG2-CG1 4.28Å; V139-V203 HydrophobicContact CG2-CG2 4.06Å; V139-V217 HydrophobicContact CG2-CG1 3.81Å; V139-T218 PolarHBondContact N-O 2.93Å; V139-I219 WeakPolarHBondContact O-CA 3.37Å; V139-A220 PolarHBondContact O-N 2.81Å
140	W	98.9	Very high	95	Very high	1 Å²	1	31.9 Å²	31.9	0%	0.004	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	128.4	179.7	-177.7	-102.6	0	0	0	112.1	Y154 V168 I169 I170 A220 E222 V457 M460 F461	W140-Y154 AromaticContact CD1-CD2 3.96Å; W140-Y154 AromaticContact CZ2-CE1 3.99Å; W140-Y154 HydrophobicContact CZ2-CE1 3.99Å; W140-Y154 AromaticContact NE1-CD1 3.67Å; W140-Y154 AromaticContact NE1-CD2 3.64Å; W140-Y154 AromaticContact NE1-CE1 3.53Å; W140-Y154 AromaticContact NE1-CE2 3.51Å; W140-Y154 AromaticContact NE1-CG 3.72Å; W140-Y154 AromaticContact NE1-CZ 3.43Å; W140-V168 PolarHBondContact N-O 3.34Å; W140-I169 HydrophobicContact CB-CG1 4.3Å; W140-I169 HydrophobicContact CB-CG2 4.31Å; W140-I169 HydrophobicContact CG-CG2 4.45Å; W140-I170 PolarHBondContact O-N 3.12Å; W140-A220 CarbonylContact C-O 3.51Å; W140-A220 WeakPolarHBondContact CA-O 3.28Å; W140-A220 HydrophobicContact CE3-CB 3.87Å; W140-A220 HydrophobicContact CZ3-CB 4.14Å; W140-E222 HydrophobicContact CH2-CB 3.65Å; W140-E222 HydrophobicContact CZ2-CB 3.87Å; W140-V457 HydrophobicContact CH2-CG1 4.01Å; W140-V457 HydrophobicContact CH2-CG2 4.17Å; W140-V457 HydrophobicContact CZ2-CG1 3.83Å; W140-V457 HydrophobicContact CZ2-CG2 4.44Å; W140-M460 HydrophobicContact CE3-CE 3.93Å; W140-M460 HydrophobicContact CH2-CE 4.05Å; W140-M460 HydrophobicContact CZ3-CE 3.61Å; W140-M460 HydrophobicContact CZ3-SD 4Å; W140-F461 HydrophobicContact CB-CZ 4.09Å; W140-F461 AromaticContact CD1-CZ 3.92Å; W140-F461 AromaticContact CD2-CE2 3.68Å; W140-F461 HydrophobicContact CD2-CE2 3.68Å; W140-F461 AromaticContact CD2-CZ 3.58Å; W140-F461 HydrophobicContact CD2-CZ 3.58Å; W140-F461 AromaticContact CE2-CE2 3.58Å; W140-F461 AromaticContact CE2-CZ 3.89Å; W140-F461 HydrophobicContact CE3-CE2 4.03Å; W140-F461 HydrophobicContact CE3-CZ 4.05Å; W140-F461 HydrophobicContact CG-CE2 4.13Å; W140-F461 AromaticContact CG-CZ 3.59Å; W140-F461 HydrophobicContact CG-CZ 3.59Å; W140-F461 HydrophobicContact CH2-CE2 4.17Å; W140-F461 AromaticContact CZ2-CE2 3.85Å; W140-F461 HydrophobicContact CZ2-CE2 3.85Å; W140-F461 HydrophobicContact CZ3-CE2 4.27Å; W140-F461 AromaticContact NE1-CE2 3.94Å
141	I	98.9	Very high	95.5	Very high	1 Å²	1	30 Å²	30	1%	0.005	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	116.9	173.4	-48.5	178.6	0	0	0	107.4	I170 Y172 Q196 A220 G221 G225 A229 L232	I141-I170 HydrophobicContact CG1-CD1 4.11Å; I141-I170 HydrophobicContact CG1-CG1 4.46Å; I141-Y172 HydrophobicContact CG2-CD1 4.13Å; I141-Y172 HydrophobicContact CG2-CE1 3.64Å; I141-Q196 HydrophobicContact CG2-CG 4.31Å; I141-A220 PolarHBondContact N-O 3.35Å; I141-G221 WeakPolarHBondContact O-CA 3.46Å; I141-G225 WeakPolarHBondContact O-CA 3.4Å; I141-A229 HydrophobicContact CD1-CB 4.42Å; I141-L232 HydrophobicContact CD1-CD1 3.71Å
142	H	98.6	Very high	96.1	Very high	1 Å²	1	23.8 Å²	23.8	1%	0.005	13%	0.13	C	C	.	.			trans	-71.6	152.8	-176.9	68.4	81	0	0	0	113.1	G149 Y154 Y172 G225	H142-G149 PolarHBondContact CE1-O 2.86Å; H142-Y154 HydrophobicContact CB-CD2 4.35Å; H142-Y154 HydrophobicContact CB-CE2 3.41Å; H142-Y154 VanDerWaalsContact CB-CE2 3.41Å; H142-Y172 AromaticContact CD2-CE1 3.67Å; H142-Y172 AromaticContact CE1-CE1 3.59Å; H142-Y172 AromaticContact CE1-CZ 3.73Å; H142-Y172 AromaticContact CG-CE1 3.96Å; H142-Y172 AromaticContact ND1-CE1 3.91Å; H142-Y172 AromaticContact NE2-CD1 3.8Å; H142-Y172 AromaticContact NE2-CE1 3.43Å; H142-Y172 WeakPolarHBondContact NE2-CE1 3.23Å; H142-Y172 PolarHBondContact O-OH 2.89Å; H142-G225 WeakPolarHBondContact O-CA 3.32Å; H142-G225 PolarHBondContact O-N 2.95Å
143	G	96.9	Very high	96.4	Very high	3 Å²	3	17.3 Å²	17.3	3%	0.031	10%	0.099	C	C	.	.			trans	-77.7	-156.6	172.1	0	0	0	0	0	113.4	M148 E222	G143-M148 VanDerWaalsContact O-O 3.11Å; G143-E222 WeakPolarHBondContact CA-O 3.4Å; G143-E222 PolarHBondContact N-O 2.87Å
144	G	94.1	Very high	96.5	Very high	18 Å²	18	15.4 Å²	15.4	19%	0.186	9%	0.085	C	C	.	.	S	Bend	trans	105.7	28.4	179.1	0	0	0	0	0	115.1	L146 V147 M148	G144-L146 PolarHBondContact O-N 2.95Å; G144-L146 VanDerWaalsContact O-N 3.12Å; G144-V147 WeakPolarHBondContact O-CG2 3.44Å; G144-V147 PolarHBondContact O-N 2.8Å; G144-M148 WeakPolarHBondContact CA-O 3.5Å; G144-M148 VanDerWaalsContact O-CG 3.28Å; G144-M148 WeakPolarHBondContact O-CG 3.36Å; G144-M148 PolarHBondContact O-N 2.83Å
145	G	93.3	Very high	96.5	Very high	12 Å²	12	10.5 Å²	10.5	12%	0.124	6%	0.064	C	C	.	.	T	Hydrogen-bonded Turn	trans	65	17.3	173.4	0	0	0	0	0	115.2	V147 A224 Y257	G145-V147 PolarHBondContact O-N 3.3Å; G145-A224 VanDerWaalsContact N-CB 3.32Å; G145-Y257 WeakPolarHBondContact CA-OH 3.24Å
146	L	95.6	Very high	96.5	Very high	3 Å²	3	10.2 Å²	10.2	2%	0.016	6%	0.062	C	C	.	.	T	Hydrogen-bonded Turn	trans	62.1	9.9	-169.4	-52.2	174.8	0	0	0	114.4	G144 Y172 L174 G175 F179 A224 Y257	G144-L146 PolarHBondContact O-N 2.95Å; G144-L146 VanDerWaalsContact O-N 3.12Å; L146-Y172 HydrophobicContact CD2-CE2 3.88Å; L146-L174 CarbonylContact O-C 3.51Å; L146-L174 WeakPolarHBondContact O-CA 3.47Å; L146-L174 WeakPolarHBondContact O-CB 3.43Å; L146-G175 PolarHBondContact O-N 2.84Å; L146-F179 HydrophobicContact CB-CD2 4.05Å; L146-F179 HydrophobicContact CB-CE2 3.68Å; L146-F179 HydrophobicContact CB-CZ 3.96Å; L146-F179 HydrophobicContact CD1-CD1 4.08Å; L146-F179 HydrophobicContact CD1-CE1 3.7Å; L146-F179 HydrophobicContact CD1-CE2 4.34Å; L146-F179 HydrophobicContact CD1-CZ 3.88Å; L146-F179 HydrophobicContact CD2-CE1 4.26Å; L146-F179 HydrophobicContact CD2-CE2 4.23Å; L146-F179 HydrophobicContact CD2-CZ 3.7Å; L146-F179 HydrophobicContact CG-CE1 4.37Å; L146-F179 HydrophobicContact CG-CE2 4.27Å; L146-F179 HydrophobicContact CG-CZ 4.03Å; L146-A224 HydrophobicContact CD2-CB 3.87Å; L146-A224 HydrophobicContact CG-CB 3.97Å; L146-Y257 HydrophobicContact CD1-CD1 3.58Å; L146-Y257 HydrophobicContact CD1-CE1 3.74Å; L146-Y257 HydrophobicContact CG-CD1 4.19Å; L146-Y257 HydrophobicContact CG-CE1 3.86Å
147	V	94.3	Very high	96.4	Very high	48 Å²	48	9.6 Å²	9.6	29%	0.291	6%	0.058	S	C	.	.	T	Hydrogen-bonded Turn	trans	-117.5	-18.6	-176.5	-63.6	0	0	0	0	113.1	Q93 G144 G145	Q93-V147 WeakPolarHBondContact CB-O 3.13Å; G144-V147 WeakPolarHBondContact O-CG2 3.44Å; G144-V147 PolarHBondContact O-N 2.8Å; G145-V147 PolarHBondContact O-N 3.3Å
148	M	94	Very high	96.4	Very high	57 Å²	57	9.6 Å²	9.6	28%	0.281	6%	0.059	S	C	.	.	S	Bend	trans	-146.5	177.5	176.7	62.1	159.3	165	0	0	110.7	Q93 V97 G143 G144	Q93-M148 VanDerWaalsContact OE1-CB 3.31Å; V97-M148 HydrophobicContact CB-SD 4.19Å; V97-M148 HydrophobicContact CG1-CE 3.89Å; V97-M148 HydrophobicContact CG1-SD 3.34Å; V97-M148 WeakPolarHBondContact CG1-SD 3.39Å; G143-M148 VanDerWaalsContact O-O 3.11Å; G144-M148 WeakPolarHBondContact CA-O 3.5Å; G144-M148 VanDerWaalsContact O-CG 3.28Å; G144-M148 WeakPolarHBondContact O-CG 3.36Å; G144-M148 PolarHBondContact O-N 2.83Å
149	G	95	Very high	96.3	Very high	4 Å²	4	9.5 Å²	9.5	4%	0.041	6%	0.058	C	C	.	.			trans	110.5	163.2	178.9	0	0	0	0	0	112.5	Q93 H142 Q153	Q93-G149 PolarHBondContact NE2-O 3.13Å; H142-G149 PolarHBondContact CE1-O 2.86Å; G149-Q153 VanDerWaalsContact CA-OE1 3.25Å
150	A	96.4	Very high	96.3	Very high	0 Å²	0	9.5 Å²	9.5	0%	0	6%	0.058	C	C	.	.			trans	-155	154.3	176.5	0	0	0	0	0	112.8	M90 S152 Q153 Y154	M90-A150 HydrophobicContact CB-CB 4.06Å; M90-A150 HydrophobicContact CG-CB 3.46Å; M90-A150 VanDerWaalsContact CG-CB 3.46Å; M90-A150 HydrophobicContact SD-CB 3.43Å; M90-A150 WeakPolarHBondContact SD-CB 3.4Å; A150-S152 WeakPolarHBondContact CB-OG 3.45Å; A150-S152 PolarHBondContact O-N 3.27Å; A150-Q153 HydrophobicContact CB-CG 4.38Å; A150-Q153 PolarHBondContact O-N 2.94Å; A150-Y154 WeakPolarHBondContact O-CD2 3.35Å; A150-Y154 WeakPolarHBondContact O-CE2 3.5Å
151	A	96.7	Very high	96.2	Very high	0 Å²	0	9.5 Å²	9.5	0%	0	6%	0.058	C	C	.	.	G	3₁₀ helix	trans	-60.2	-30.7	172.8	0	0	0	0	0	112.6	Q153 Y154 I169 Q171	A151-Q153 PolarHBondContact O-N 2.71Å; A151-Y154 PolarHBondContact O-N 3.32Å; A151-I169 HydrophobicContact CB-CB 4.34Å; A151-I169 HydrophobicContact CB-CG2 3.67Å; A151-Q171 HydrophobicContact CB-CG 3.66Å
152	S	94.8	Very high	96.2	Very high	1 Å²	1	11.4 Å²	11.4	1%	0.007	7%	0.066	C	C	.	.	G	3₁₀ helix	trans	-70.4	-10.7	-179.4	51.8	0	0	0	0	114.2	F109 A150 Y154 H469	F109-S152 WeakPolarHBondContact CE2-O 3.42Å; F109-S152 WeakPolarHBondContact CZ-O 3.38Å; F109-S152 WeakPolarHBondContact CZ-OG 3.34Å; A150-S152 WeakPolarHBondContact CB-OG 3.45Å; A150-S152 PolarHBondContact O-N 3.27Å; S152-Y154 PolarHBondContact O-N 3.28Å; S152-H469 PolarHBondContact O-NE2 3.28Å; S152-H469 VanDerWaalsContact O-NE2 3.11Å
153	Q	93.7	Very high	96.1	Very high	14 Å²	14	12 Å²	12	7%	0.065	7%	0.068	C	C	.	.	G	3₁₀ helix	trans	-78.1	1.5	173.9	-62.6	-180	-76.7	0	0	113.4	F109 G149 A150 A151 I470	F109-Q153 HydrophobicContact CE1-CG 4.18Å; F109-Q153 HydrophobicContact CZ-CG 4.46Å; G149-Q153 VanDerWaalsContact CA-OE1 3.25Å; A150-Q153 HydrophobicContact CB-CG 4.38Å; A150-Q153 PolarHBondContact O-N 2.94Å; A151-Q153 PolarHBondContact O-N 2.71Å; Q153-I470 VanDerWaalsContact O-CD1 3.26Å; Q153-I470 WeakPolarHBondContact O-CD1 3.42Å
154	Y	95.1	Very high	96.2	Very high	28 Å²	28	14.7 Å²	14.7	11%	0.11	8%	0.082	C	C	.	.			trans	-133.4	137.7	-175	-52.3	-84.8	0	0	0	110.1	W140 H142 A150 A151 S152 I169 V457 F461	W140-Y154 AromaticContact CD1-CD2 3.96Å; W140-Y154 AromaticContact CZ2-CE1 3.99Å; W140-Y154 HydrophobicContact CZ2-CE1 3.99Å; W140-Y154 AromaticContact NE1-CD1 3.67Å; W140-Y154 AromaticContact NE1-CD2 3.64Å; W140-Y154 AromaticContact NE1-CE1 3.53Å; W140-Y154 AromaticContact NE1-CE2 3.51Å; W140-Y154 AromaticContact NE1-CG 3.72Å; W140-Y154 AromaticContact NE1-CZ 3.43Å; H142-Y154 HydrophobicContact CB-CD2 4.35Å; H142-Y154 HydrophobicContact CB-CE2 3.41Å; H142-Y154 VanDerWaalsContact CB-CE2 3.41Å; A150-Y154 WeakPolarHBondContact O-CD2 3.35Å; A150-Y154 WeakPolarHBondContact O-CE2 3.5Å; A151-Y154 PolarHBondContact O-N 3.32Å; S152-Y154 PolarHBondContact O-N 3.28Å; Y154-I169 HydrophobicContact CD2-CG2 4.4Å; Y154-V457 HydrophobicContact CD1-CG1 4.23Å; Y154-V457 HydrophobicContact CE1-CG1 3.83Å; Y154-F461 AromaticContact CD1-CD2 3.86Å; Y154-F461 HydrophobicContact CD1-CD2 3.86Å; Y154-F461 AromaticContact CD1-CE2 3.5Å; Y154-F461 HydrophobicContact CD1-CE2 3.5Å; Y154-F461 VanDerWaalsContact CD1-CE2 3.5Å; Y154-F461 HydrophobicContact CD1-CZ 4.08Å; Y154-F461 HydrophobicContact CE1-CE2 4.21Å; Y154-F461 HydrophobicContact CG-CE2 4.12Å; Y154-F461 HydrophobicContact CG-CZ 4.24Å
155	D	96.3	Very high	96.4	Very high	3 Å²	3	13.8 Å²	13.8	2%	0.016	7%	0.073	C	C	.	.			trans	-116.2	110.5	171.4	-167.5	-28.3	0	0	0	110.1	Y124 S157 W466 H469 I470	Y124-D155 WeakPolarHBondContact CE1-OD1 3.1Å; D155-S157 PolarHBondContact O-N 3.22Å; D155-S157 WeakPolarHBondContact OD1-CB 3.47Å; D155-S157 PolarHBondContact OD1-N 3.23Å; D155-S157 PolarHBondContact OD1-OG 3.37Å; D155-W466 HydrophobicContact CB-CD2 4.27Å; D155-W466 HydrophobicContact CB-CG 4.21Å; D155-W466 HydrophobicContact CB-CZ2 4.49Å; D155-W466 PolarHBondContact O-NE1 3.36Å; D155-H469 IonicContact OD2-CE1 2.7Å; D155-H469 IonicContact OD2-ND1 3.25Å; D155-H469 PolarHBondContact OD2-ND1 3.01Å; D155-I470 HydrophobicContact CB-CG2 3.55Å
156	G	97.6	Very high	96.6	Very high	0 Å²	0	13.2 Å²	13.2	0%	0	7%	0.067	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-6	-180	0	0	0	0	0	114.6	S158 L159 T160	G156-S158 PolarHBondContact O-N 3.04Å; G156-L159 PolarHBondContact O-N 2.76Å; G156-T160 VanDerWaalsContact O-CB 3.29Å; G156-T160 WeakPolarHBondContact O-CB 3.39Å; G156-T160 PolarHBondContact O-N 2.84Å; G156-T160 PolarHBondContact O-OG1 3.07Å
157	S	97.9	Very high	96.8	Very high	5 Å²	5	13.1 Å²	13.1	4%	0.035	7%	0.067	C	C	.	.	H	α-helix	trans	-61	-44.8	-170.6	-54.3	0	0	0	0	112.7	V42 V51 Y124 D155 T160 A161	V42-S157 WeakPolarHBondContact CG2-OG 3.43Å; V51-S157 WeakPolarHBondContact CG2-O 3.39Å; Y124-S157 WeakPolarHBondContact CD1-OG 3.46Å; D155-S157 PolarHBondContact O-N 3.22Å; D155-S157 WeakPolarHBondContact OD1-CB 3.47Å; D155-S157 PolarHBondContact OD1-N 3.23Å; D155-S157 PolarHBondContact OD1-OG 3.37Å; S157-T160 PolarHBondContact O-N 3.46Å; S157-A161 WeakPolarHBondContact O-CB 3.45Å; S157-A161 PolarHBondContact O-N 3.21Å
158	S	97.9	Very high	97	Very high	1 Å²	1	10.9 Å²	10.9	1%	0.007	5%	0.053	C	C	.	.	H	α-helix	trans	-64.1	-52.7	-178.2	-52.1	0	0	0	0	111.2	G156 T160 A161 Y162 F461 G462 F465	G156-S158 PolarHBondContact O-N 3.04Å; S158-T160 VanDerWaalsContact C-N 3.31Å; S158-T160 PolarHBondContact O-N 2.97Å; S158-A161 PolarHBondContact O-N 3Å; S158-Y162 VanDerWaalsContact O-CD2 3.23Å; S158-Y162 WeakPolarHBondContact O-CD2 3.32Å; S158-Y162 PolarHBondContact O-N 2.76Å; S158-F461 WeakPolarHBondContact CB-O 3.35Å; S158-G462 PolarHBondContact OG-O 3.36Å; S158-G462 VanDerWaalsContact OG-O 3.11Å; S158-F465 WeakPolarHBondContact OG-CB 3.37Å
159	L	98.3	Very high	97.2	Very high	0 Å²	0	8.1 Å²	8.1	0%	0	4%	0.039	C	C	.	.	H	α-helix	trans	-56	-47	178.4	179.7	62.4	0	0	0	111.1	M138 G156 A161 E163 I165 M488	M138-L159 HydrophobicContact SD-CD2 3.82Å; G156-L159 PolarHBondContact O-N 2.76Å; L159-A161 PolarHBondContact O-N 3.46Å; L159-E163 HydrophobicContact CD1-CB 4.31Å; L159-E163 HydrophobicContact CD1-CG 3.79Å; L159-E163 VanDerWaalsContact O-CB 3.27Å; L159-E163 WeakPolarHBondContact O-CB 3.43Å; L159-E163 PolarHBondContact O-N 3.27Å; L159-I165 HydrophobicContact CD1-CD1 4.4Å; L159-I165 HydrophobicContact CD2-CD1 4.23Å; L159-I165 HydrophobicContact CG-CD1 4.03Å; L159-M488 HydrophobicContact CD1-CB 4.07Å; L159-M488 HydrophobicContact CD1-CG 3.95Å
160	T	98.5	Very high	97.4	Very high	0 Å²	0	8 Å²	8	0%	0	4%	0.037	C	C	.	.	H	α-helix	trans	-58.8	-47.3	176.6	-78.9	0	0	0	0	112.7	V51 Y124 P126 G156 S157 S158 N164 I165 T167	V51-T160 HydrophobicContact CG1-CG2 3.97Å; V51-T160 HydrophobicContact CG2-CG2 3.86Å; Y124-T160 PolarHBondContact O-OG1 2.78Å; P126-T160 HydrophobicContact CB-CG2 4.49Å; P126-T160 HydrophobicContact CG-CG2 3.78Å; G156-T160 VanDerWaalsContact O-CB 3.29Å; G156-T160 WeakPolarHBondContact O-CB 3.39Å; G156-T160 PolarHBondContact O-N 2.84Å; G156-T160 PolarHBondContact O-OG1 3.07Å; S157-T160 PolarHBondContact O-N 3.46Å; S158-T160 VanDerWaalsContact C-N 3.31Å; S158-T160 PolarHBondContact O-N 2.97Å; T160-N164 VanDerWaalsContact O-CA 3.31Å; T160-N164 WeakPolarHBondContact O-CA 3.26Å; T160-N164 PolarHBondContact O-N 3.24Å; T160-I165 WeakPolarHBondContact CA-O 3.5Å; T160-I165 WeakPolarHBondContact CB-O 3.4Å; T160-I165 VanDerWaalsContact CG2-O 3.3Å; T160-I165 WeakPolarHBondContact CG2-O 3.47Å; T160-I165 PolarHBondContact OG1-O 2.87Å; T160-T167 WeakPolarHBondContact OG1-CB 3.19Å; T160-T167 PolarHBondContact OG1-N 3.26Å; T160-T167 PolarHBondContact OG1-OG1 2.96Å
161	A	97.6	Very high	97.5	Very high	0 Å²	0	8 Å²	8	0%	0	4%	0.038	C	C	.	.	H	α-helix	trans	-68.7	-44	-177.3	0	0	0	0	0	112.9	V44 T47 R49 V51 S157 S158 L159	V44-A161 HydrophobicContact CB-CB 4.16Å; V44-A161 HydrophobicContact CG1-CB 4.41Å; V44-A161 HydrophobicContact CG2-CB 3.79Å; T47-A161 HydrophobicContact CG2-CB 4.23Å; R49-A161 HydrophobicContact CB-CB 4.28Å; R49-A161 WeakPolarHBondContact CD-O 3.39Å; R49-A161 PolarHBondContact NH1-O 2.9Å; V51-A161 HydrophobicContact CG2-CB 3.88Å; S157-A161 WeakPolarHBondContact O-CB 3.45Å; S157-A161 PolarHBondContact O-N 3.21Å; S158-A161 PolarHBondContact O-N 3Å; L159-A161 PolarHBondContact O-N 3.46Å
162	Y	97.5	Very high	97.6	Very high	42 Å²	42	8 Å²	8	17%	0.165	4%	0.038	C	C	.	.	H	α-helix	trans	-72.3	-43	-178.4	-79.7	-72.8	0	0	0	111.9	V44 K45 G46 T47 S158 F465 R485 M488	V44-Y162 HydrophobicContact CG1-CD2 4.31Å; V44-Y162 HydrophobicContact CG1-CE2 3.72Å; K45-Y162 PolarHBondContact O-OH 3.41Å; G46-Y162 WeakPolarHBondContact CA-OH 3.22Å; G46-Y162 PolarHBondContact O-OH 2.97Å; G46-Y162 VanDerWaalsContact O-OH 3.13Å; T47-Y162 HydrophobicContact CG2-CE1 4.39Å; T47-Y162 HydrophobicContact CG2-CE2 4.22Å; S158-Y162 VanDerWaalsContact O-CD2 3.23Å; S158-Y162 WeakPolarHBondContact O-CD2 3.32Å; S158-Y162 PolarHBondContact O-N 2.76Å; Y162-F465 HydrophobicContact CD2-CD2 4.45Å; Y162-F465 HydrophobicContact CE2-CB 4.16Å; Y162-F465 HydrophobicContact CE2-CD1 4.39Å; Y162-F465 AromaticContact CE2-CD2 3.82Å; Y162-F465 HydrophobicContact CE2-CD2 3.82Å; Y162-F465 HydrophobicContact CE2-CE2 4.35Å; Y162-F465 AromaticContact CE2-CG 3.84Å; Y162-F465 HydrophobicContact CE2-CG 3.84Å; Y162-R485 PolarHBondContact OH-NH1 2.86Å; Y162-M488 HydrophobicContact CD2-CE 3.53Å; Y162-M488 HydrophobicContact CD2-SD 4Å; Y162-M488 HydrophobicContact CE2-CE 4.14Å; Y162-M488 HydrophobicContact CG-CE 3.79Å; Y162-M488 HydrophobicContact CG-SD 4.39Å
163	E	97.9	Very high	97.8	Very high	13 Å²	13	8.4 Å²	8.4	6%	0.061	4%	0.039	C	C	.	.	H	α-helix	trans	-97.4	-4.6	-172	-62.8	-57.3	138.1	0	0	114.3	L159 I165 M488 S489 R496	L159-E163 HydrophobicContact CD1-CB 4.31Å; L159-E163 HydrophobicContact CD1-CG 3.79Å; L159-E163 VanDerWaalsContact O-CB 3.27Å; L159-E163 WeakPolarHBondContact O-CB 3.43Å; L159-E163 PolarHBondContact O-N 3.27Å; E163-I165 VanDerWaalsContact C-N 3.34Å; E163-I165 HydrophobicContact CB-CD1 4.47Å; E163-I165 HydrophobicContact CB-CG1 4.34Å; E163-I165 HydrophobicContact CB-CG2 4.15Å; E163-I165 WeakPolarHBondContact O-CG2 3.42Å; E163-I165 PolarHBondContact O-N 2.89Å; E163-M488 VanDerWaalsContact CD-C 3.47Å; E163-M488 VanDerWaalsContact CD-O 3.23Å; E163-M488 HydrophobicContact CG-CB 3.99Å; E163-M488 VanDerWaalsContact CG-O 3.27Å; E163-M488 WeakPolarHBondContact CG-O 3.37Å; E163-M488 VanDerWaalsContact OE1-C 3.31Å; E163-S489 VanDerWaalsContact CD-CA 3.44Å; E163-S489 WeakPolarHBondContact OE1-CA 3.33Å; E163-S489 PolarHBondContact OE1-N 3.18Å; E163-S489 VanDerWaalsContact OE1-N 3.13Å; E163-S489 PolarHBondContact OE1-OG 3.47Å; E163-R496 PolarHBondContact O-NH1 2.75Å; E163-R496 IonicContact OE2-CZ 3.02Å; E163-R496 IonicContact OE2-NH1 3.51Å; E163-R496 PolarHBondContact OE2-NH1 3.36Å; E163-R496 IonicContact OE2-NH2 3.72Å; E163-R496 PolarHBondContact OE2-NH2 2.62Å
164	N	97	Very high	98	Very high	59 Å²	59	8 Å²	8	32%	0.316	4%	0.037	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.5	52.2	179.9	-165.8	53.4	0	0	0	111.6	T160	T160-N164 VanDerWaalsContact O-CA 3.31Å; T160-N164 WeakPolarHBondContact O-CA 3.26Å; T160-N164 PolarHBondContact O-N 3.24Å
165	I	98.4	Very high	98	Very high	0 Å²	0	7.3 Å²	7.3	0%	0	4%	0.039	C	C	.	.			trans	-129.1	156.5	178.5	71.6	175.6	0	0	0	109.9	P136 M138 L159 T160 E163 A495 R496	P136-I165 HydrophobicContact CG-CB 4.12Å; P136-I165 HydrophobicContact CG-CG2 3.62Å; M138-I165 HydrophobicContact CB-CD1 4.09Å; M138-I165 HydrophobicContact CE-CD1 4.19Å; L159-I165 HydrophobicContact CD1-CD1 4.4Å; L159-I165 HydrophobicContact CD2-CD1 4.23Å; L159-I165 HydrophobicContact CG-CD1 4.03Å; T160-I165 WeakPolarHBondContact CA-O 3.5Å; T160-I165 WeakPolarHBondContact CB-O 3.4Å; T160-I165 VanDerWaalsContact CG2-O 3.3Å; T160-I165 WeakPolarHBondContact CG2-O 3.47Å; T160-I165 PolarHBondContact OG1-O 2.87Å; E163-I165 VanDerWaalsContact C-N 3.34Å; E163-I165 HydrophobicContact CB-CD1 4.47Å; E163-I165 HydrophobicContact CB-CG1 4.34Å; E163-I165 HydrophobicContact CB-CG2 4.15Å; E163-I165 WeakPolarHBondContact O-CG2 3.42Å; E163-I165 PolarHBondContact O-N 2.89Å; I165-A495 HydrophobicContact CD1-CB 4.34Å; I165-R496 HydrophobicContact CG2-CG 4.44Å
166	V	98.9	Very high	98	Very high	0 Å²	0	8.1 Å²	8.1	0%	0	4%	0.043	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85	127.5	170.1	177.5	0	0	0	0	108.9	V123 Y124 L135 P136 V137 M138 V168 I207	V123-V166 HydrophobicContact CG1-CG1 4.04Å; Y124-V166 WeakPolarHBondContact O-CA 3.44Å; L135-V166 HydrophobicContact CB-CG2 4.1Å; L135-V166 HydrophobicContact CD1-CG2 4.33Å; P136-V166 PolarHBondContact O-N 3Å; V137-V166 CarbonylContact C-O 3.58Å; V137-V166 VanDerWaalsContact CA-O 3.31Å; V137-V166 WeakPolarHBondContact CA-O 3.36Å; V137-V166 HydrophobicContact CG1-CG1 4.4Å; V137-V166 HydrophobicContact CG2-CB 4.27Å; M138-V166 PolarHBondContact N-O 2.87Å; V166-V168 HydrophobicContact CG1-CG2 4.31Å; V166-I207 HydrophobicContact CG1-CD1 3.83Å; V166-I207 HydrophobicContact CG1-CG1 4.13Å
167	T	98.9	Very high	98	Very high	1 Å²	1	8.7 Å²	8.7	1%	0.006	5%	0.046	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	130.2	175.1	-52.2	0	0	0	0	109.2	Y124 M138 T160 I169 F461	Y124-T167 PolarHBondContact N-O 3.31Å; Y124-T167 PolarHBondContact O-N 2.95Å; M138-T167 CarbonylContact O-C 3.56Å; M138-T167 WeakPolarHBondContact O-CA 3.48Å; T160-T167 WeakPolarHBondContact OG1-CB 3.19Å; T160-T167 PolarHBondContact OG1-N 3.26Å; T160-T167 PolarHBondContact OG1-OG1 2.96Å; T167-I169 HydrophobicContact CG2-CD1 4.43Å; T167-I169 HydrophobicContact CG2-CG1 4.06Å; T167-F461 HydrophobicContact CG2-CE1 4.43Å
168	V	98.9	Very high	98	Very high	0 Å²	0	8.4 Å²	8.4	0%	0	4%	0.044	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	130.3	174.7	-175.7	0	0	0	0	108	L121 N122 V123 V137 M138 V139 W140 V166 I170 V203 I207	L121-V168 HydrophobicContact CB-CG1 4.37Å; L121-V168 HydrophobicContact CD1-CG1 4.18Å; L121-V168 HydrophobicContact CD2-CG1 4.37Å; N122-V168 CarbonylContact O-C 3.54Å; N122-V168 VanDerWaalsContact O-CA 3.26Å; N122-V168 WeakPolarHBondContact O-CA 3.33Å; V123-V168 HydrophobicContact CG2-CG1 4.41Å; V123-V168 HydrophobicContact CG2-CG2 4.28Å; V137-V168 HydrophobicContact CG1-CG2 3.77Å; M138-V168 PolarHBondContact O-N 2.92Å; V139-V168 CarbonylContact C-O 3.56Å; V139-V168 VanDerWaalsContact CA-O 3.32Å; V139-V168 WeakPolarHBondContact CA-O 3.09Å; V139-V168 HydrophobicContact CG1-CB 4.48Å; V139-V168 HydrophobicContact CG2-CB 4.18Å; W140-V168 PolarHBondContact N-O 3.34Å; V166-V168 HydrophobicContact CG1-CG2 4.31Å; V168-I170 HydrophobicContact CG1-CG2 4Å; V168-V203 HydrophobicContact CG1-CG2 4.07Å; V168-V203 HydrophobicContact CG2-CG2 4.32Å; V168-I207 HydrophobicContact CG2-CD1 3.58Å; V168-I207 HydrophobicContact CG2-CG1 4.49Å
169	I	98.9	Very high	98	Very high	0 Å²	0	8.6 Å²	8.6	0%	0	5%	0.045	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	118.5	-178.5	-48.2	-173.2	0	0	0	107.8	L121 N122 Y124 W140 A151 Y154 T167 F461	L121-I169 CarbonylContact C-O 3.5Å; L121-I169 VanDerWaalsContact CA-O 3.32Å; L121-I169 WeakPolarHBondContact CA-O 3.39Å; N122-I169 HydrophobicContact CB-CB 4.41Å; N122-I169 PolarHBondContact N-O 3Å; N122-I169 PolarHBondContact O-N 3.47Å; Y124-I169 HydrophobicContact CD2-CD1 4.35Å; Y124-I169 HydrophobicContact CD2-CG1 4.41Å; Y124-I169 HydrophobicContact CE2-CD1 3.68Å; Y124-I169 HydrophobicContact CE2-CG1 3.96Å; W140-I169 HydrophobicContact CB-CG1 4.3Å; W140-I169 HydrophobicContact CB-CG2 4.31Å; W140-I169 HydrophobicContact CG-CG2 4.45Å; A151-I169 HydrophobicContact CB-CB 4.34Å; A151-I169 HydrophobicContact CB-CG2 3.67Å; Y154-I169 HydrophobicContact CD2-CG2 4.4Å; T167-I169 HydrophobicContact CG2-CD1 4.43Å; T167-I169 HydrophobicContact CG2-CG1 4.06Å; I169-F461 HydrophobicContact CD1-CE1 3.99Å; I169-F461 HydrophobicContact CD1-CZ 4.43Å
170	I	98.9	Very high	97.9	Very high	0 Å²	0	8.6 Å²	8.6	0%	0	5%	0.045	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	150.4	-169.1	71.4	172.5	0	0	0	111.7	L121 V139 W140 I141 V168 Q196 A199	L121-I170 HydrophobicContact CB-CB 4.34Å; L121-I170 HydrophobicContact CB-CG2 3.91Å; L121-I170 HydrophobicContact CD2-CG2 4.36Å; V139-I170 HydrophobicContact CG1-CD1 4.47Å; V139-I170 HydrophobicContact CG1-CG2 3.86Å; W140-I170 PolarHBondContact O-N 3.12Å; I141-I170 HydrophobicContact CG1-CD1 4.11Å; I141-I170 HydrophobicContact CG1-CG1 4.46Å; V168-I170 HydrophobicContact CG1-CG2 4Å; I170-Q196 HydrophobicContact CD1-CB 4.07Å; I170-Q196 HydrophobicContact CD1-CG 3.97Å; I170-A199 HydrophobicContact CB-CB 4.14Å; I170-A199 HydrophobicContact CD1-CB 3.91Å; I170-A199 HydrophobicContact CG2-CB 3.83Å
171	Q	98.8	Very high	97.8	Very high	1 Å²	1	8.9 Å²	8.9	1%	0.005	5%	0.047	C	C	.	.			trans	-97	162.4	160.2	-63.3	-148.3	130.8	0	0	111.3	F59 P89 C118 Y120 A151	F59-Q171 WeakPolarHBondContact CE1-O 3.45Å; F59-Q171 VanDerWaalsContact CZ-O 3.28Å; F59-Q171 WeakPolarHBondContact CZ-O 3.39Å; P89-Q171 PolarHBondContact O-NE2 3.38Å; C118-Q171 VanDerWaalsContact O-CB 3.3Å; C118-Q171 WeakPolarHBondContact O-CB 3.32Å; C118-Q171 PolarHBondContact O-NE2 2.8Å; Y120-Q171 PolarHBondContact O-N 3.16Å; A151-Q171 HydrophobicContact CB-CG 3.66Å
172	Y	98.9	Very high	97.8	Very high	0 Å²	0	9.1 Å²	9.1	0%	0	5%	0.048	C	C	.	.			trans	-152.9	153.6	172.9	57.1	-85.2	0	0	0	109.5	C91 I141 H142 L146 L174 F179 G192 Q196	C91-Y172 PolarHBondContact SG-O 3.19Å; I141-Y172 HydrophobicContact CG2-CD1 4.13Å; I141-Y172 HydrophobicContact CG2-CE1 3.64Å; H142-Y172 AromaticContact CD2-CE1 3.67Å; H142-Y172 AromaticContact CE1-CE1 3.59Å; H142-Y172 AromaticContact CE1-CZ 3.73Å; H142-Y172 AromaticContact CG-CE1 3.96Å; H142-Y172 AromaticContact ND1-CE1 3.91Å; H142-Y172 AromaticContact NE2-CD1 3.8Å; H142-Y172 AromaticContact NE2-CE1 3.43Å; H142-Y172 WeakPolarHBondContact NE2-CE1 3.23Å; H142-Y172 PolarHBondContact O-OH 2.89Å; L146-Y172 HydrophobicContact CD2-CE2 3.88Å; Y172-L174 HydrophobicContact CD2-CD2 3.85Å; Y172-L174 HydrophobicContact CE2-CD2 3.38Å; Y172-F179 HydrophobicContact CD2-CE2 4.4Å; Y172-F179 HydrophobicContact CD2-CZ 4.25Å; Y172-F179 HydrophobicContact CE2-CE2 4.35Å; Y172-F179 HydrophobicContact CE2-CZ 4.21Å; Y172-G192 WeakPolarHBondContact CB-O 3.31Å; Y172-Q196 HydrophobicContact CD1-CG 4.05Å; Y172-Q196 HydrophobicContact CG-CG 3.95Å
173	R	98.7	Very high	97.7	Very high	10 Å²	10	9.8 Å²	9.8	4%	0.038	7%	0.068	C	C	.	.			trans	-60.2	143.2	177.9	-77.2	171.8	-77	-177.7	1.3	111.3	P63 A70 L119 F179 G192 D195	P63-R173 HydrophobicContact CG-CG 4.13Å; A70-R173 VanDerWaalsContact O-CZ 3.29Å; A70-R173 PolarHBondContact O-NH1 3.2Å; A70-R173 PolarHBondContact O-NH2 3.11Å; L119-R173 HydrophobicContact CD2-CG 4.19Å; R173-F179 VanDerWaalsContact O-CE2 3.23Å; R173-F179 WeakPolarHBondContact O-CE2 3.37Å; R173-G192 WeakPolarHBondContact O-CA 3.25Å; R173-D195 VanDerWaalsContact CB-OD2 3.25Å; R173-D195 WeakPolarHBondContact CB-OD2 3.48Å; R173-D195 VanDerWaalsContact CG-OD2 3.3Å; R173-D195 WeakPolarHBondContact CG-OD2 3.2Å; R173-D195 IonicContact CZ-OD1 2.98Å; R173-D195 IonicContact CZ-OD2 3.12Å; R173-D195 PolarHBondContact N-OD2 3.45Å; R173-D195 IonicContact NE-OD1 3.98Å; R173-D195 PolarHBondContact NE-OD1 3.11Å; R173-D195 IonicContact NE-OD2 3.92Å; R173-D195 PolarHBondContact NE-OD2 2.83Å; R173-D195 IonicContact NH2-OD1 3.87Å; R173-D195 PolarHBondContact NH2-OD1 3.17Å; R173-D195 IonicContact NH2-OD2 2.66Å
174	L	97.7	Very high	97.5	Very high	4 Å²	4	11.1 Å²	11.1	2%	0.021	8%	0.075	C	C	.	.			trans	-116.9	164.2	-174.9	-58	172	0	0	0	111.8	C91 L146 Y172 L177 G178	C91-L174 HydrophobicContact CB-CD1 4.14Å; C91-L174 HydrophobicContact CB-CG 4.21Å; L146-L174 CarbonylContact O-C 3.51Å; L146-L174 WeakPolarHBondContact O-CA 3.47Å; L146-L174 WeakPolarHBondContact O-CB 3.43Å; Y172-L174 HydrophobicContact CD2-CD2 3.85Å; Y172-L174 HydrophobicContact CE2-CD2 3.38Å; L174-L177 PolarHBondContact O-N 3.24Å; L174-G178 PolarHBondContact O-N 2.87Å
175	G	95.6	Very high	97.4	Very high	14 Å²	14	15.3 Å²	15.3	14%	0.144	9%	0.093	C	C	.	.	H	α-helix	trans	53.3	-137.1	172.3	0	0	0	0	0	113.4	L146 L177 G178 F179	L146-G175 PolarHBondContact O-N 2.84Å; G175-L177 VanDerWaalsContact C-N 3.25Å; G175-L177 PolarHBondContact O-N 2.82Å; G175-G178 PolarHBondContact O-N 2.79Å; G175-F179 PolarHBondContact O-N 2.85Å
176	I	96.1	Very high	97.3	Very high	20 Å²	20	18 Å²	18	10%	0.103	11%	0.106	C	C	.	.	H	α-helix	trans	-58.1	-39.5	-179.2	-65.1	163.5	0	0	0	111.3	M69 G178 L180 V269 F295 V298 L306	M69-I176 HydrophobicContact CE-CG2 3.56Å; I176-G178 VanDerWaalsContact C-N 3.33Å; I176-G178 PolarHBondContact O-N 2.84Å; I176-L180 HydrophobicContact CG2-CB 4.23Å; I176-L180 WeakPolarHBondContact O-CB 3.27Å; I176-L180 PolarHBondContact O-N 2.91Å; I176-V269 HydrophobicContact CD1-CG1 3.66Å; I176-V269 HydrophobicContact CD1-CG2 4.35Å; I176-V269 HydrophobicContact CG1-CG1 3.89Å; I176-V269 HydrophobicContact CG1-CG2 4.08Å; I176-V269 HydrophobicContact CG2-CG1 4.1Å; I176-F295 HydrophobicContact CB-CD1 4.14Å; I176-F295 HydrophobicContact CB-CE1 4.27Å; I176-F295 HydrophobicContact CD1-CD1 3.96Å; I176-F295 HydrophobicContact CD1-CE1 4.45Å; I176-F295 HydrophobicContact CG2-CD1 4.02Å; I176-F295 HydrophobicContact CG2-CE1 3.64Å; I176-V298 HydrophobicContact CD1-CB 4.33Å; I176-V298 HydrophobicContact CD1-CG1 3.79Å; I176-L306 HydrophobicContact CG1-CD1 4.27Å
177	L	97.1	Very high	97.1	Very high	12 Å²	12	18 Å²	18	6%	0.063	11%	0.106	C	C	.	.	H	α-helix	trans	-71.5	-28.1	-178.1	-64.3	177.7	0	0	0	113	R68 M69 V92 E116 L174 G175 F295	R68-L177 HydrophobicContact CG-CD2 3.68Å; M69-L177 HydrophobicContact CE-CD2 4.29Å; V92-L177 HydrophobicContact CB-CD1 3.84Å; V92-L177 HydrophobicContact CG1-CD1 4.27Å; V92-L177 HydrophobicContact CG2-CD1 3.82Å; E116-L177 HydrophobicContact CG-CD1 3.98Å; L174-L177 PolarHBondContact O-N 3.24Å; G175-L177 VanDerWaalsContact C-N 3.25Å; G175-L177 PolarHBondContact O-N 2.82Å; L177-F295 HydrophobicContact CD1-CD2 4.27Å; L177-F295 HydrophobicContact CD2-CD2 3.99Å; L177-F295 HydrophobicContact CD2-CE2 3.61Å; L177-F295 HydrophobicContact CD2-CZ 3.9Å; L177-F295 HydrophobicContact CG-CD2 4.24Å; L177-F295 HydrophobicContact CG-CE2 4.34Å
178	G	97.4	Very high	97	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-92	-30.2	179.7	0	0	0	0	0	114.7	L174 G175 I176 W191 G192	L174-G178 PolarHBondContact O-N 2.87Å; G175-G178 PolarHBondContact O-N 2.79Å; I176-G178 VanDerWaalsContact C-N 3.33Å; I176-G178 PolarHBondContact O-N 2.84Å; G178-W191 CarbonylContact O-C 3.42Å; G178-W191 WeakPolarHBondContact O-CA 3.28Å; G178-W191 VanDerWaalsContact O-CB 3.27Å; G178-W191 WeakPolarHBondContact O-CB 3.33Å; G178-W191 PolarHBondContact O-N 2.73Å; G178-G192 PolarHBondContact O-N 2.85Å
179	F	97.1	Very high	96.8	Very high	4 Å²	4	21.7 Å²	21.7	2%	0.018	12%	0.121	C	C	.	.	H	α-helix	trans	-138.1	-2.1	-160.4	-64.2	-86.3	0	0	0	115.3	L146 Y172 R173 G175 S181 L193 L306	L146-F179 HydrophobicContact CB-CD2 4.05Å; L146-F179 HydrophobicContact CB-CE2 3.68Å; L146-F179 HydrophobicContact CB-CZ 3.96Å; L146-F179 HydrophobicContact CD1-CD1 4.08Å; L146-F179 HydrophobicContact CD1-CE1 3.7Å; L146-F179 HydrophobicContact CD1-CE2 4.34Å; L146-F179 HydrophobicContact CD1-CZ 3.88Å; L146-F179 HydrophobicContact CD2-CE1 4.26Å; L146-F179 HydrophobicContact CD2-CE2 4.23Å; L146-F179 HydrophobicContact CD2-CZ 3.7Å; L146-F179 HydrophobicContact CG-CE1 4.37Å; L146-F179 HydrophobicContact CG-CE2 4.27Å; L146-F179 HydrophobicContact CG-CZ 4.03Å; Y172-F179 HydrophobicContact CD2-CE2 4.4Å; Y172-F179 HydrophobicContact CD2-CZ 4.25Å; Y172-F179 HydrophobicContact CE2-CE2 4.35Å; Y172-F179 HydrophobicContact CE2-CZ 4.21Å; R173-F179 VanDerWaalsContact O-CE2 3.23Å; R173-F179 WeakPolarHBondContact O-CE2 3.37Å; G175-F179 PolarHBondContact O-N 2.85Å; F179-S181 PolarHBondContact O-N 3.44Å; F179-L193 HydrophobicContact CE1-CD1 4.25Å; F179-L193 HydrophobicContact CE1-CD2 4.45Å; F179-L193 HydrophobicContact CE1-CG 3.88Å; F179-L306 HydrophobicContact CB-CB 3.51Å; F179-L306 WeakPolarHBondContact CB-O 3.37Å; F179-L306 WeakPolarHBondContact CG-O 3.37Å
180	L	96.4	Very high	96.8	Very high	1 Å²	1	21.7 Å²	21.7	1%	0.005	12%	0.121	C	C	.	.			trans	-59.3	128.9	173.4	-176.6	87.5	0	0	0	110.7	M69 I176 G189 W191 A266 V269 L287 L306	M69-L180 HydrophobicContact CE-CB 4.41Å; M69-L180 HydrophobicContact CE-CD2 3.78Å; M69-L180 HydrophobicContact SD-CD2 3.65Å; I176-L180 HydrophobicContact CG2-CB 4.23Å; I176-L180 WeakPolarHBondContact O-CB 3.27Å; I176-L180 PolarHBondContact O-N 2.91Å; L180-G189 WeakPolarHBondContact O-CA 3.39Å; L180-W191 PolarHBondContact O-NE1 3.43Å; L180-A266 HydrophobicContact CD1-CB 4.05Å; L180-V269 HydrophobicContact CD1-CB 4.06Å; L180-V269 HydrophobicContact CD1-CG1 4.05Å; L180-V269 HydrophobicContact CD1-CG2 4.13Å; L180-L287 HydrophobicContact CD1-CD1 4.32Å; L180-L287 HydrophobicContact CD2-CD1 3.33Å; L180-L287 HydrophobicContact CG-CD1 4.46Å; L180-L306 HydrophobicContact CB-CD1 4.45Å
181	S	96.9	Very high	96.8	Very high	5 Å²	5	22.7 Å²	22.7	4%	0.035	13%	0.125	C	C	.	.			trans	-134.2	136.3	172.9	176.3	0	0	0	0	110.7	F179 G183 A187 K188 P262 A266 A309	F179-S181 PolarHBondContact O-N 3.44Å; S181-G183 PolarHBondContact OG-N 3.46Å; S181-G183 VanDerWaalsContact OG-N 3.11Å; S181-A187 CarbonylContact C-O 3.47Å; S181-A187 VanDerWaalsContact CA-O 3.22Å; S181-A187 WeakPolarHBondContact CA-O 3.36Å; S181-A187 PolarHBondContact OG-O 2.89Å; S181-K188 VanDerWaalsContact CB-O 3.3Å; S181-K188 WeakPolarHBondContact CB-O 3.34Å; S181-K188 PolarHBondContact OG-O 3.39Å; S181-P262 CarbonylContact O-C 3.6Å; S181-P262 WeakPolarHBondContact OG-CG 3.45Å; S181-A266 WeakPolarHBondContact O-CB 3.21Å; S181-A309 WeakPolarHBondContact OG-CB 3.48Å
182	T	96.9	Very high	96.8	Very high	5 Å²	5	22.6 Å²	22.6	3%	0.031	13%	0.125	C	C	.	.			trans	-91.8	-7.9	168.7	46.8	0	0	0	0	112.1	D184 A187 T280 L283 V284	T182-D184 VanDerWaalsContact C-N 3.27Å; T182-D184 WeakPolarHBondContact CB-OD1 3.44Å; T182-D184 PolarHBondContact OG1-OD1 3.31Å; T182-A187 HydrophobicContact CG2-CB 4.31Å; T182-A187 PolarHBondContact N-O 3.47Å; T182-A187 PolarHBondContact OG1-N 3.11Å; T182-A187 VanDerWaalsContact OG1-N 3.13Å; T182-A187 PolarHBondContact OG1-O 3.47Å; T182-T280 HydrophobicContact CG2-CG2 3.9Å; T182-L283 HydrophobicContact CG2-CD2 4.45Å; T182-V284 HydrophobicContact CG2-CG2 3.99Å
183	G	95.4	Very high	96.8	Very high	56 Å²	56	22.7 Å²	22.7	58%	0.577	13%	0.125	S	C	*	.	S	Bend	trans	76.2	11.3	-176.4	0	0	0	0	0	114.3	S181	S181-G183 PolarHBondContact OG-N 3.46Å; S181-G183 VanDerWaalsContact OG-N 3.11Å
184	D	95.3	Very high	96.8	Very high	41 Å²	41	23.6 Å²	23.6	22%	0.219	13%	0.131	C	C	.	.	S	Bend	trans	-137.1	-174	-179.7	65.9	18.3	0	0	0	111.4	T182 H186 A187 K188 T280	T182-D184 VanDerWaalsContact C-N 3.27Å; T182-D184 WeakPolarHBondContact CB-OD1 3.44Å; T182-D184 PolarHBondContact OG1-OD1 3.31Å; D184-H186 PolarHBondContact O-N 3.5Å; D184-H186 WeakPolarHBondContact OD1-CB 3.37Å; D184-H186 IonicContact OD1-CD2 2.74Å; D184-H186 IonicContact OD1-CG 3.26Å; D184-H186 PolarHBondContact OD1-N 3.19Å; D184-H186 IonicContact OD2-CD2 3.88Å; D184-A187 CarbonylContact O-C 3.55Å; D184-K188 PolarHBondContact O-N 2.89Å; D184-T280 WeakPolarHBondContact OD2-CB 3.45Å; D184-T280 VanDerWaalsContact OD2-CG2 3.3Å; D184-T280 WeakPolarHBondContact OD2-CG2 3.13Å; D184-T280 PolarHBondContact OD2-OG1 3.29Å
185	E	94.5	Very high	96.8	Very high	148 Å²	148	23.4 Å²	23.4	69%	0.692	13%	0.13	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.8	-19.3	-177	64.4	-92.1	-148.6	0	0	114.7
186	H	95.4	Very high	97	Very high	57 Å²	57	22.7 Å²	22.7	26%	0.264	12%	0.123	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.3	-34.5	-175.4	-60.4	-62.3	0	0	0	112	D184 T280 V284	D184-H186 PolarHBondContact O-N 3.5Å; D184-H186 WeakPolarHBondContact OD1-CB 3.37Å; D184-H186 IonicContact OD1-CD2 2.74Å; D184-H186 IonicContact OD1-CG 3.26Å; D184-H186 PolarHBondContact OD1-N 3.19Å; D184-H186 IonicContact OD2-CD2 3.88Å; H186-T280 PolarHBondContact CD2-OG1 3Å; H186-T280 VanDerWaalsContact CD2-OG1 3.22Å; H186-V284 HydrophobicContact CB-CG2 4.2Å
187	A	96.1	Very high	97.1	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	12%	0.12	C	C	.	.			trans	-153.1	91.6	168.4	0	0	0	0	0	110.6	S181 T182 D184 G189 W191 V284	S181-A187 CarbonylContact C-O 3.47Å; S181-A187 VanDerWaalsContact CA-O 3.22Å; S181-A187 WeakPolarHBondContact CA-O 3.36Å; S181-A187 PolarHBondContact OG-O 2.89Å; T182-A187 HydrophobicContact CG2-CB 4.31Å; T182-A187 PolarHBondContact N-O 3.47Å; T182-A187 PolarHBondContact OG1-N 3.11Å; T182-A187 VanDerWaalsContact OG1-N 3.13Å; T182-A187 PolarHBondContact OG1-O 3.47Å; D184-A187 CarbonylContact O-C 3.55Å; A187-G189 VanDerWaalsContact C-N 3.26Å; A187-G189 PolarHBondContact O-N 3.39Å; A187-W191 HydrophobicContact CB-CZ2 4.35Å; A187-V284 HydrophobicContact CB-CG2 3.61Å
188	K	95.4	Very high	97.2	Very high	77 Å²	77	22.4 Å²	22.4	34%	0.335	12%	0.124	S	C	.	.			trans	-60.4	-35.1	175.7	-67.2	-173.4	179.4	-179.5	0	112.8	S181 D184 W191 D311 E313	S181-K188 VanDerWaalsContact CB-O 3.3Å; S181-K188 WeakPolarHBondContact CB-O 3.34Å; S181-K188 PolarHBondContact OG-O 3.39Å; D184-K188 PolarHBondContact O-N 2.89Å; K188-W191 HydrophobicContact CB-CH2 4.28Å; K188-D311 HydrophobicContact CB-CB 4.5Å; K188-E313 VanDerWaalsContact NZ-CD 3.31Å; K188-E313 IonicContact NZ-OE1 3.37Å; K188-E313 PolarHBondContact NZ-OE1 3.36Å; K188-E313 IonicContact NZ-OE2 3.81Å; K188-E313 PolarHBondContact NZ-OE2 3.04Å
189	G	96.3	Very high	97.3	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	12%	0.124	C	C	.	.			trans	96.5	-157.4	-179.9	0	0	0	0	0	113.5	L180 A187 W191	L180-G189 WeakPolarHBondContact O-CA 3.39Å; A187-G189 VanDerWaalsContact C-N 3.26Å; A187-G189 PolarHBondContact O-N 3.39Å; G189-W191 VanDerWaalsContact N-CZ2 3.25Å; G189-W191 PolarHBondContact O-N 3.44Å; G189-W191 VanDerWaalsContact O-N 3.1Å
190	N	98	Very high	97.4	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	12%	0.123	C	C	.	.			trans	59.9	16.4	178	-59.9	-30.9	0	0	0	115.4	G192 L193 L194 A308 A309 D311 F314	N190-G192 VanDerWaalsContact C-N 3.31Å; N190-G192 PolarHBondContact O-N 3.47Å; N190-L193 HydrophobicContact CB-CB 4.44Å; N190-L193 HydrophobicContact CB-CD1 4.35Å; N190-L193 CarbonylContact O-C 3.59Å; N190-L193 WeakPolarHBondContact O-CA 3.32Å; N190-L193 WeakPolarHBondContact O-CB 3.44Å; N190-L193 PolarHBondContact O-N 3.38Å; N190-L194 WeakPolarHBondContact O-CG 3.5Å; N190-L194 PolarHBondContact O-N 3.31Å; N190-A308 WeakPolarHBondContact OD1-CA 3.49Å; N190-A309 PolarHBondContact ND2-O 2.93Å; N190-A309 PolarHBondContact OD1-N 2.77Å; N190-D311 PolarHBondContact ND2-OD2 3.02Å; N190-F314 HydrophobicContact CB-CD1 4.21Å
191	W	98.5	Very high	97.5	Very high	21 Å²	21	28 Å²	28	8%	0.08	15%	0.145	C	C	.	.	H	α-helix	trans	-55.6	-43	-175.3	-40.5	119.8	0	0	0	112.9	M69 G178 L180 A187 K188 G189 L193 L194 D195	M69-W191 HydrophobicContact CB-CZ2 4.46Å; M69-W191 WeakPolarHBondContact O-CZ2 3.5Å; G178-W191 CarbonylContact O-C 3.42Å; G178-W191 WeakPolarHBondContact O-CA 3.28Å; G178-W191 VanDerWaalsContact O-CB 3.27Å; G178-W191 WeakPolarHBondContact O-CB 3.33Å; G178-W191 PolarHBondContact O-N 2.73Å; L180-W191 PolarHBondContact O-NE1 3.43Å; A187-W191 HydrophobicContact CB-CZ2 4.35Å; K188-W191 HydrophobicContact CB-CH2 4.28Å; G189-W191 VanDerWaalsContact N-CZ2 3.25Å; G189-W191 PolarHBondContact O-N 3.44Å; G189-W191 VanDerWaalsContact O-N 3.1Å; W191-L193 PolarHBondContact O-N 2.82Å; W191-L194 HydrophobicContact CE3-CD1 4Å; W191-L194 HydrophobicContact CZ3-CD1 4.29Å; W191-L194 PolarHBondContact O-N 3.31Å; W191-D195 PolarHBondContact O-N 2.92Å
192	G	98.6	Very high	97.6	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-63.9	-36.3	175	0	0	0	0	0	113.2	Y172 R173 G178 N190 D195 Q196	Y172-G192 WeakPolarHBondContact CB-O 3.31Å; R173-G192 WeakPolarHBondContact O-CA 3.25Å; G178-G192 PolarHBondContact O-N 2.85Å; N190-G192 VanDerWaalsContact C-N 3.31Å; N190-G192 PolarHBondContact O-N 3.47Å; G192-D195 WeakPolarHBondContact O-CB 3.35Å; G192-D195 PolarHBondContact O-N 3.04Å; G192-Q196 WeakPolarHBondContact O-CG 3.44Å; G192-Q196 PolarHBondContact O-N 3.23Å; G192-Q196 VanDerWaalsContact O-N 3.1Å
193	L	98.8	Very high	97.7	Very high	1 Å²	1	28 Å²	28	1%	0.005	14%	0.144	C	C	.	.	H	α-helix	trans	-73.7	-34.3	175.5	-62.2	166.2	0	0	0	111.7	F179 N190 W191 D195 Q196 L197 I231 A308 F314	F179-L193 HydrophobicContact CE1-CD1 4.25Å; F179-L193 HydrophobicContact CE1-CD2 4.45Å; F179-L193 HydrophobicContact CE1-CG 3.88Å; N190-L193 HydrophobicContact CB-CB 4.44Å; N190-L193 HydrophobicContact CB-CD1 4.35Å; N190-L193 CarbonylContact O-C 3.59Å; N190-L193 WeakPolarHBondContact O-CA 3.32Å; N190-L193 WeakPolarHBondContact O-CB 3.44Å; N190-L193 PolarHBondContact O-N 3.38Å; W191-L193 PolarHBondContact O-N 2.82Å; L193-D195 VanDerWaalsContact C-N 3.3Å; L193-Q196 WeakPolarHBondContact O-CB 3.48Å; L193-Q196 PolarHBondContact O-N 3.32Å; L193-L197 PolarHBondContact O-N 2.94Å; L193-I231 HydrophobicContact CD1-CG2 4.2Å; L193-A308 HydrophobicContact CD1-CB 3.53Å; L193-F314 HydrophobicContact CB-CE1 3.84Å; L193-F314 HydrophobicContact CB-CE2 4.02Å; L193-F314 HydrophobicContact CB-CZ 3.53Å; L193-F314 HydrophobicContact CD1-CD1 4.36Å; L193-F314 HydrophobicContact CD1-CE1 3.55Å; L193-F314 HydrophobicContact CD1-CZ 4.01Å; L193-F314 HydrophobicContact CG-CE1 4.23Å; L193-F314 HydrophobicContact CG-CZ 4.2Å
194	L	98.8	Very high	97.8	Very high	29 Å²	29	27.3 Å²	27.3	15%	0.152	13%	0.125	C	C	.	.	H	α-helix	trans	-67.4	-32.3	171.7	-65.5	174.4	0	0	0	111.4	A71 P72 N190 W191 L197 A198 F314	A71-L194 HydrophobicContact CB-CD1 4.12Å; P72-L194 HydrophobicContact CG-CB 4.22Å; P72-L194 WeakPolarHBondContact CG-O 3.45Å; N190-L194 WeakPolarHBondContact O-CG 3.5Å; N190-L194 PolarHBondContact O-N 3.31Å; W191-L194 HydrophobicContact CE3-CD1 4Å; W191-L194 HydrophobicContact CZ3-CD1 4.29Å; W191-L194 PolarHBondContact O-N 3.31Å; L194-L197 HydrophobicContact CD2-CD2 4.46Å; L194-L197 WeakPolarHBondContact O-CB 3.3Å; L194-L197 PolarHBondContact O-N 2.57Å; L194-A198 WeakPolarHBondContact O-CB 3.41Å; L194-A198 PolarHBondContact O-N 3.03Å; L194-F314 HydrophobicContact CD2-CB 4.34Å; L194-F314 HydrophobicContact CD2-CD2 3.96Å; L194-F314 HydrophobicContact CD2-CG 4.39Å
195	D	98.9	Very high	97.9	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-64.5	-44.7	171.4	-60	-27.7	0	0	0	111	F59 P72 L119 R173 W191 G192 L193 L197 A198 A199	F59-D195 HydrophobicContact CE2-CB 4.3Å; F59-D195 VanDerWaalsContact CE2-O 3.25Å; F59-D195 WeakPolarHBondContact CE2-O 3.43Å; F59-D195 HydrophobicContact CZ-CB 4.33Å; P72-D195 WeakPolarHBondContact CB-OD1 3.44Å; P72-D195 WeakPolarHBondContact CG-OD1 3.31Å; L119-D195 HydrophobicContact CD2-CB 4Å; L119-D195 WeakPolarHBondContact CD2-OD2 3.43Å; R173-D195 VanDerWaalsContact CB-OD2 3.25Å; R173-D195 WeakPolarHBondContact CB-OD2 3.48Å; R173-D195 VanDerWaalsContact CG-OD2 3.3Å; R173-D195 WeakPolarHBondContact CG-OD2 3.2Å; R173-D195 IonicContact CZ-OD1 2.98Å; R173-D195 IonicContact CZ-OD2 3.12Å; R173-D195 PolarHBondContact N-OD2 3.45Å; R173-D195 IonicContact NE-OD1 3.98Å; R173-D195 PolarHBondContact NE-OD1 3.11Å; R173-D195 IonicContact NE-OD2 3.92Å; R173-D195 PolarHBondContact NE-OD2 2.83Å; R173-D195 IonicContact NH2-OD1 3.87Å; R173-D195 PolarHBondContact NH2-OD1 3.17Å; R173-D195 IonicContact NH2-OD2 2.66Å; W191-D195 PolarHBondContact O-N 2.92Å; G192-D195 WeakPolarHBondContact O-CB 3.35Å; G192-D195 PolarHBondContact O-N 3.04Å; L193-D195 VanDerWaalsContact C-N 3.3Å; D195-L197 VanDerWaalsContact C-N 3.29Å; D195-L197 PolarHBondContact O-N 3.39Å; D195-A198 WeakPolarHBondContact O-CB 3.18Å; D195-A198 PolarHBondContact O-N 2.99Å; D195-A198 VanDerWaalsContact O-N 3.16Å; D195-A199 PolarHBondContact O-N 2.95Å
196	Q	98.9	Very high	98.1	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-60.4	-41	174.2	-62.9	167.2	10.6	0	0	111.2	I141 I170 Y172 G192 L193 A199 L200 S228 L232	I141-Q196 HydrophobicContact CG2-CG 4.31Å; I170-Q196 HydrophobicContact CD1-CB 4.07Å; I170-Q196 HydrophobicContact CD1-CG 3.97Å; Y172-Q196 HydrophobicContact CD1-CG 4.05Å; Y172-Q196 HydrophobicContact CG-CG 3.95Å; G192-Q196 WeakPolarHBondContact O-CG 3.44Å; G192-Q196 PolarHBondContact O-N 3.23Å; G192-Q196 VanDerWaalsContact O-N 3.1Å; L193-Q196 WeakPolarHBondContact O-CB 3.48Å; L193-Q196 PolarHBondContact O-N 3.32Å; Q196-A199 PolarHBondContact O-N 3.37Å; Q196-L200 VanDerWaalsContact O-CG 3.32Å; Q196-L200 WeakPolarHBondContact O-CG 3.38Å; Q196-L200 PolarHBondContact O-N 2.63Å; Q196-S228 PolarHBondContact NE2-OG 2.9Å; Q196-S228 VanDerWaalsContact NE2-OG 3.17Å; Q196-S228 VanDerWaalsContact OE1-CB 3.29Å; Q196-L232 HydrophobicContact CB-CD1 4.41Å
197	L	98.8	Very high	98.3	Very high	7 Å²	7	21.6 Å²	21.6	4%	0.037	10%	0.098	C	C	.	.	H	α-helix	trans	-62.6	-41.9	174.3	-167.2	77.4	0	0	0	112	L193 L194 D195 L200 R201 L237 L241	L193-L197 PolarHBondContact O-N 2.94Å; L194-L197 HydrophobicContact CD2-CD2 4.46Å; L194-L197 WeakPolarHBondContact O-CB 3.3Å; L194-L197 PolarHBondContact O-N 2.57Å; D195-L197 VanDerWaalsContact C-N 3.29Å; D195-L197 PolarHBondContact O-N 3.39Å; L197-L200 PolarHBondContact O-N 3.49Å; L197-R201 WeakPolarHBondContact O-CG 3.19Å; L197-R201 PolarHBondContact O-N 3.23Å; L197-L237 HydrophobicContact CD1-CB 4.44Å; L197-L237 HydrophobicContact CD2-CB 3.82Å; L197-L237 HydrophobicContact CD2-CD1 4.35Å; L197-L241 HydrophobicContact CD1-CD1 3.38Å; L197-L241 HydrophobicContact CG-CD1 4.04Å
198	A	98.9	Very high	98.3	Very high	19 Å²	19	26.3 Å²	26.3	16%	0.157	12%	0.12	C	C	.	.	H	α-helix	trans	-64.4	-41.5	176.4	0	0	0	0	0	111.7	F59 P72 L194 D195 L200 R201 W202	F59-A198 HydrophobicContact CD2-CB 4.14Å; F59-A198 HydrophobicContact CE2-CB 4.21Å; P72-A198 HydrophobicContact CB-CB 4.16Å; P72-A198 HydrophobicContact CG-CB 3.71Å; L194-A198 WeakPolarHBondContact O-CB 3.41Å; L194-A198 PolarHBondContact O-N 3.03Å; D195-A198 WeakPolarHBondContact O-CB 3.18Å; D195-A198 PolarHBondContact O-N 2.99Å; D195-A198 VanDerWaalsContact O-N 3.16Å; A198-L200 VanDerWaalsContact C-N 3.34Å; A198-L200 PolarHBondContact O-N 3.24Å; A198-R201 PolarHBondContact O-N 2.62Å; A198-W202 PolarHBondContact O-N 2.85Å
199	A	98.9	Very high	98.4	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-63	-39.5	174	0	0	0	0	0	111.9	F59 L121 I170 D195 Q196 W202 V203	F59-A199 HydrophobicContact CD1-CB 4.16Å; F59-A199 HydrophobicContact CD2-CB 3.87Å; F59-A199 HydrophobicContact CE1-CB 4.19Å; F59-A199 HydrophobicContact CE2-CB 3.94Å; F59-A199 HydrophobicContact CG-CB 3.99Å; F59-A199 HydrophobicContact CZ-CB 4.09Å; L121-A199 HydrophobicContact CD2-CB 4.33Å; I170-A199 HydrophobicContact CB-CB 4.14Å; I170-A199 HydrophobicContact CD1-CB 3.91Å; I170-A199 HydrophobicContact CG2-CB 3.83Å; D195-A199 PolarHBondContact O-N 2.95Å; Q196-A199 PolarHBondContact O-N 3.37Å; A199-W202 WeakPolarHBondContact O-CB 3.29Å; A199-W202 PolarHBondContact O-N 3.42Å; A199-V203 WeakPolarHBondContact O-CG2 3.21Å; A199-V203 PolarHBondContact O-N 3.01Å
200	L	98.9	Very high	98.4	Very high	1 Å²	1	25.5 Å²	25.5	1%	0.005	13%	0.126	C	C	.	.	H	α-helix	trans	-66.1	-37.9	174.8	-69.9	172.7	0	0	0	112.7	V139 Q196 L197 A198 W202 V203 Q204 I219 L232 L241 F242	V139-L200 HydrophobicContact CB-CD2 4.22Å; V139-L200 HydrophobicContact CG1-CD2 4.03Å; V139-L200 HydrophobicContact CG2-CD2 4.12Å; Q196-L200 VanDerWaalsContact O-CG 3.32Å; Q196-L200 WeakPolarHBondContact O-CG 3.38Å; Q196-L200 PolarHBondContact O-N 2.63Å; L197-L200 PolarHBondContact O-N 3.49Å; A198-L200 VanDerWaalsContact C-N 3.34Å; A198-L200 PolarHBondContact O-N 3.24Å; L200-W202 VanDerWaalsContact C-N 3.33Å; L200-V203 WeakPolarHBondContact O-CB 3.33Å; L200-V203 PolarHBondContact O-N 3.33Å; L200-Q204 WeakPolarHBondContact O-CG 3.32Å; L200-Q204 PolarHBondContact O-N 2.79Å; L200-I219 HydrophobicContact CD1-CG2 4.18Å; L200-I219 HydrophobicContact CD2-CG2 3.64Å; L200-L232 HydrophobicContact CD1-CD1 4.12Å; L200-L241 HydrophobicContact CB-CB 4.12Å; L200-L241 HydrophobicContact CB-CD1 4.09Å; L200-F242 HydrophobicContact CD1-CD1 4.31Å
201	R	98.8	Very high	98.4	Very high	121 Å²	121	26.7 Å²	26.7	46%	0.457	14%	0.138	S	C	.	.	H	α-helix	trans	-63.4	-41.9	171.4	-70.4	175	-175.3	-146.6	1.2	111.1	L197 A198 V203 Q204 E205 L241	L197-R201 WeakPolarHBondContact O-CG 3.19Å; L197-R201 PolarHBondContact O-N 3.23Å; A198-R201 PolarHBondContact O-N 2.62Å; R201-V203 VanDerWaalsContact C-N 3.3Å; R201-V203 PolarHBondContact O-N 3.06Å; R201-Q204 PolarHBondContact O-N 2.89Å; R201-E205 WeakPolarHBondContact O-CG 3.25Å; R201-E205 PolarHBondContact O-N 2.74Å; R201-L241 HydrophobicContact CG-CD1 4.05Å; R201-L241 HydrophobicContact CG-CD2 4.01Å
202	W	98.8	Very high	98.3	Very high	11 Å²	11	25.7 Å²	25.7	4%	0.042	14%	0.135	C	C	.	.	H	α-helix	trans	-58.3	-43.8	173.5	-178	99.6	0	0	0	111.4	L32 I57 F59 L121 V123 A198 A199 L200 E205 N206 I207 F210	L32-W202 HydrophobicContact CD1-CZ2 3.94Å; L32-W202 HydrophobicContact CD2-CZ2 4.29Å; I57-W202 HydrophobicContact CD1-CH2 4.21Å; I57-W202 HydrophobicContact CD1-CZ2 4.44Å; I57-W202 HydrophobicContact CG2-CH2 4.35Å; I57-W202 HydrophobicContact CG2-CZ2 3.59Å; F59-W202 HydrophobicContact CB-CB 3.91Å; F59-W202 HydrophobicContact CB-CG 3.85Å; L121-W202 HydrophobicContact CD1-CD2 4.45Å; L121-W202 HydrophobicContact CD1-CE3 3.93Å; L121-W202 HydrophobicContact CD1-CH2 3.77Å; L121-W202 HydrophobicContact CD1-CZ2 4.29Å; L121-W202 HydrophobicContact CD1-CZ3 3.57Å; L121-W202 HydrophobicContact CD2-CD2 3.8Å; L121-W202 HydrophobicContact CD2-CE3 3.46Å; L121-W202 VanDerWaalsContact CD2-CE3 3.46Å; L121-W202 HydrophobicContact CD2-CG 4.26Å; L121-W202 HydrophobicContact CD2-CZ3 3.99Å; L121-W202 HydrophobicContact CG-CE3 4.33Å; L121-W202 HydrophobicContact CG-CZ3 4.45Å; V123-W202 HydrophobicContact CG2-CH2 4.02Å; V123-W202 HydrophobicContact CG2-CZ3 4.11Å; A198-W202 PolarHBondContact O-N 2.85Å; A199-W202 WeakPolarHBondContact O-CB 3.29Å; A199-W202 PolarHBondContact O-N 3.42Å; L200-W202 VanDerWaalsContact C-N 3.33Å; W202-E205 PolarHBondContact O-N 3.24Å; W202-N206 HydrophobicContact CD2-CB 4.12Å; W202-N206 HydrophobicContact CE3-CB 4.37Å; W202-N206 HydrophobicContact CH2-CB 4.03Å; W202-N206 HydrophobicContact CZ2-CB 3.74Å; W202-N206 HydrophobicContact CZ3-CB 4.33Å; W202-N206 WeakPolarHBondContact O-CB 3.22Å; W202-N206 PolarHBondContact O-N 2.79Å; W202-N206 PolarHBondContact O-ND2 3.23Å; W202-I207 HydrophobicContact CZ3-CD1 4.41Å; W202-F210 HydrophobicContact CH2-CD2 4.26Å; W202-F210 AromaticContact CH2-CE2 3.47Å; W202-F210 HydrophobicContact CH2-CE2 3.47Å; W202-F210 VanDerWaalsContact CH2-CE2 3.47Å; W202-F210 AromaticContact CH2-CZ 3.98Å; W202-F210 HydrophobicContact CH2-CZ 3.98Å; W202-F210 AromaticContact CZ2-CE2 3.99Å; W202-F210 HydrophobicContact CZ2-CE2 3.99Å; W202-F210 HydrophobicContact CZ2-CZ 4.36Å
203	V	98.9	Very high	98.4	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-59.1	-50.2	175.8	168	0	0	0	0	110.4	V137 V139 V168 A199 L200 R201 E205 N206 I207 V217	V137-V203 HydrophobicContact CG1-CG1 4.22Å; V139-V203 HydrophobicContact CG2-CG1 4.28Å; V139-V203 HydrophobicContact CG2-CG2 4.06Å; V168-V203 HydrophobicContact CG1-CG2 4.07Å; V168-V203 HydrophobicContact CG2-CG2 4.32Å; A199-V203 WeakPolarHBondContact O-CG2 3.21Å; A199-V203 PolarHBondContact O-N 3.01Å; L200-V203 WeakPolarHBondContact O-CB 3.33Å; L200-V203 PolarHBondContact O-N 3.33Å; R201-V203 VanDerWaalsContact C-N 3.3Å; R201-V203 PolarHBondContact O-N 3.06Å; V203-E205 PolarHBondContact O-N 3.05Å; V203-N206 PolarHBondContact O-N 2.84Å; V203-I207 HydrophobicContact CG1-CB 3.96Å; V203-I207 HydrophobicContact CG1-CG1 4.27Å; V203-I207 HydrophobicContact CG1-CG2 4.02Å; V203-I207 WeakPolarHBondContact O-CB 3.29Å; V203-I207 WeakPolarHBondContact O-CG2 3.26Å; V203-I207 PolarHBondContact O-N 3.24Å; V203-V217 HydrophobicContact CG1-CG1 4.5Å; V203-V217 HydrophobicContact CG1-CG2 4Å
204	Q	98.8	Very high	98.3	Very high	41 Å²	41	27.8 Å²	27.8	19%	0.192	15%	0.146	C	C	.	.	H	α-helix	trans	-56	-36.8	178	-72.9	-62.7	-38.9	0	0	112.8	L200 R201 P214 L241	L200-Q204 WeakPolarHBondContact O-CG 3.32Å; L200-Q204 PolarHBondContact O-N 2.79Å; R201-Q204 PolarHBondContact O-N 2.89Å; Q204-P214 PolarHBondContact NE2-O 3.13Å; Q204-P214 PolarHBondContact OE1-O 3.28Å; Q204-L241 HydrophobicContact CG-CD2 3.83Å; Q204-L241 PolarHBondContact NE2-O 3.48Å
205	E	97.9	Very high	98.3	Very high	114 Å²	114	32.5 Å²	32.5	53%	0.533	17%	0.167	S	C	.	.	H	α-helix	trans	-85.5	-24.8	-176.5	-71.1	-173.5	-148.5	0	0	115	K33 R201 W202 V203	K33-E205 IonicContact NZ-OE2 2.78Å; K33-E205 PolarHBondContact NZ-OE2 3.48Å; R201-E205 WeakPolarHBondContact O-CG 3.25Å; R201-E205 PolarHBondContact O-N 2.74Å; W202-E205 PolarHBondContact O-N 3.24Å; V203-E205 PolarHBondContact O-N 3.05Å
206	N	98.3	Very high	98.3	Very high	12 Å²	12	33.1 Å²	33.1	6%	0.064	17%	0.172	C	C	.	.	H	α-helix	trans	-126.7	-19.9	-165.7	-63.3	-83	0	0	0	114.7	L32 W202 V203 E208 A209 F210	L32-N206 HydrophobicContact CD2-CB 4.09Å; W202-N206 HydrophobicContact CD2-CB 4.12Å; W202-N206 HydrophobicContact CE3-CB 4.37Å; W202-N206 HydrophobicContact CH2-CB 4.03Å; W202-N206 HydrophobicContact CZ2-CB 3.74Å; W202-N206 HydrophobicContact CZ3-CB 4.33Å; W202-N206 WeakPolarHBondContact O-CB 3.22Å; W202-N206 PolarHBondContact O-N 2.79Å; W202-N206 PolarHBondContact O-ND2 3.23Å; V203-N206 PolarHBondContact O-N 2.84Å; N206-E208 PolarHBondContact O-N 3.22Å; N206-E208 VanDerWaalsContact O-N 3.12Å; N206-A209 WeakPolarHBondContact O-CB 3.49Å; N206-A209 PolarHBondContact O-N 2.78Å; N206-F210 WeakPolarHBondContact O-CD2 3.44Å
207	I	98.4	Very high	98.3	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	17%	0.172	C	C	.	.	G	3₁₀ helix	trans	-66.3	-22.6	-167.7	-155.2	63.1	0	0	0	113.5	V123 V137 V166 V168 W202 V203 A209 F210 G211 G212 P214	V123-I207 HydrophobicContact CG1-CD1 4.14Å; V123-I207 HydrophobicContact CG2-CD1 4.43Å; V137-I207 HydrophobicContact CG1-CD1 4.47Å; V137-I207 HydrophobicContact CG1-CG1 4.03Å; V137-I207 HydrophobicContact CG2-CG1 3.75Å; V137-I207 HydrophobicContact CG2-CG2 4.04Å; V166-I207 HydrophobicContact CG1-CD1 3.83Å; V166-I207 HydrophobicContact CG1-CG1 4.13Å; V168-I207 HydrophobicContact CG2-CD1 3.58Å; V168-I207 HydrophobicContact CG2-CG1 4.49Å; W202-I207 HydrophobicContact CZ3-CD1 4.41Å; V203-I207 HydrophobicContact CG1-CB 3.96Å; V203-I207 HydrophobicContact CG1-CG1 4.27Å; V203-I207 HydrophobicContact CG1-CG2 4.02Å; V203-I207 WeakPolarHBondContact O-CB 3.29Å; V203-I207 WeakPolarHBondContact O-CG2 3.26Å; V203-I207 PolarHBondContact O-N 3.24Å; I207-A209 PolarHBondContact O-N 2.65Å; I207-F210 HydrophobicContact CD1-CB 4.39Å; I207-F210 HydrophobicContact CD1-CD2 4.31Å; I207-F210 CarbonylContact O-C 3.57Å; I207-F210 WeakPolarHBondContact O-CA 3.13Å; I207-F210 PolarHBondContact O-N 2.8Å; I207-G211 PolarHBondContact O-N 3.31Å; I207-G212 PolarHBondContact O-N 3.24Å; I207-P214 HydrophobicContact CG2-CB 4.24Å
208	E	97.2	Very high	98.3	Very high	99 Å²	99	32.8 Å²	32.8	46%	0.463	17%	0.17	S	C	.	.	G	3₁₀ helix	trans	-58.9	-34.2	172.5	-66.2	-161.2	175.4	0	0	112.5	K134 N206 F210 G211 G212 P214	K134-E208 IonicContact NZ-OE1 2.67Å; K134-E208 PolarHBondContact NZ-OE1 3.33Å; K134-E208 IonicContact NZ-OE2 2.88Å; K134-E208 PolarHBondContact NZ-OE2 2.97Å; N206-E208 PolarHBondContact O-N 3.22Å; N206-E208 VanDerWaalsContact O-N 3.12Å; E208-F210 PolarHBondContact O-N 3.26Å; E208-F210 VanDerWaalsContact O-N 3.15Å; E208-G211 PolarHBondContact O-N 3.33Å; E208-G212 WeakPolarHBondContact CA-O 2.92Å; E208-P214 HydrophobicContact CG-CG 3.75Å; E208-P214 WeakPolarHBondContact OE1-CD 3.16Å; E208-P214 WeakPolarHBondContact OE1-CG 3.03Å
209	A	96.3	Very high	98.3	Very high	52 Å²	52	31.9 Å²	31.9	43%	0.43	16%	0.163	S	C	.	.	G	3₁₀ helix	trans	-66.1	-16.6	177.3	0	0	0	0	0	112.7	V30 L32 N206 I207	V30-A209 HydrophobicContact CG1-CB 3.61Å; L32-A209 HydrophobicContact CD2-CB 4.42Å; N206-A209 WeakPolarHBondContact O-CB 3.49Å; N206-A209 PolarHBondContact O-N 2.78Å; I207-A209 PolarHBondContact O-N 2.65Å
210	F	97.1	Very high	98.3	Very high	8 Å²	8	31.9 Å²	31.9	4%	0.035	16%	0.163	C	C	.	.	G	3₁₀ helix	trans	-103.9	8.3	174.9	-57.2	-92.6	0	0	0	112.6	V30 L32 I37 Y54 I57 V123 T125 W202 N206 I207 E208	V30-F210 HydrophobicContact CB-CE1 4Å; V30-F210 HydrophobicContact CB-CZ 4.24Å; V30-F210 HydrophobicContact CG1-CD1 4.27Å; V30-F210 HydrophobicContact CG1-CD2 4.36Å; V30-F210 HydrophobicContact CG1-CE1 3.89Å; V30-F210 HydrophobicContact CG1-CE2 4Å; V30-F210 HydrophobicContact CG1-CG 4.5Å; V30-F210 HydrophobicContact CG1-CZ 3.76Å; V30-F210 HydrophobicContact CG2-CD1 4.01Å; V30-F210 HydrophobicContact CG2-CE1 3.91Å; L32-F210 HydrophobicContact CD1-CZ 4.44Å; L32-F210 HydrophobicContact CD2-CE2 3.52Å; L32-F210 HydrophobicContact CD2-CZ 3.78Å; I37-F210 HydrophobicContact CG2-CZ 4.4Å; Y54-F210 HydrophobicContact CD1-CE1 4Å; Y54-F210 AromaticContact CD2-CD1 3.7Å; Y54-F210 HydrophobicContact CD2-CD1 3.7Å; Y54-F210 AromaticContact CD2-CE1 3.72Å; Y54-F210 HydrophobicContact CD2-CE1 3.72Å; Y54-F210 HydrophobicContact CE1-CE1 4.32Å; Y54-F210 AromaticContact CE2-CD1 3.79Å; Y54-F210 HydrophobicContact CE2-CD1 3.79Å; Y54-F210 HydrophobicContact CE2-CE1 4.07Å; Y54-F210 HydrophobicContact CG-CD1 4.19Å; Y54-F210 AromaticContact CG-CE1 3.7Å; Y54-F210 HydrophobicContact CG-CE1 3.7Å; I57-F210 HydrophobicContact CD1-CE1 4.27Å; I57-F210 HydrophobicContact CD1-CZ 3.96Å; V123-F210 HydrophobicContact CB-CD1 4.24Å; V123-F210 HydrophobicContact CB-CE1 4.37Å; V123-F210 HydrophobicContact CG1-CB 3.95Å; V123-F210 HydrophobicContact CG1-CD1 3.75Å; V123-F210 HydrophobicContact CG1-CE1 4.36Å; V123-F210 HydrophobicContact CG1-CG 3.82Å; T125-F210 VanDerWaalsContact CB-O 3.29Å; T125-F210 WeakPolarHBondContact CB-O 3.34Å; T125-F210 PolarHBondContact OG1-O 3.32Å; W202-F210 HydrophobicContact CH2-CD2 4.26Å; W202-F210 AromaticContact CH2-CE2 3.47Å; W202-F210 HydrophobicContact CH2-CE2 3.47Å; W202-F210 VanDerWaalsContact CH2-CE2 3.47Å; W202-F210 AromaticContact CH2-CZ 3.98Å; W202-F210 HydrophobicContact CH2-CZ 3.98Å; W202-F210 AromaticContact CZ2-CE2 3.99Å; W202-F210 HydrophobicContact CZ2-CE2 3.99Å; W202-F210 HydrophobicContact CZ2-CZ 4.36Å; N206-F210 WeakPolarHBondContact O-CD2 3.44Å; I207-F210 HydrophobicContact CD1-CB 4.39Å; I207-F210 HydrophobicContact CD1-CD2 4.31Å; I207-F210 CarbonylContact O-C 3.57Å; I207-F210 WeakPolarHBondContact O-CA 3.13Å; I207-F210 PolarHBondContact O-N 2.8Å; E208-F210 PolarHBondContact O-N 3.26Å; E208-F210 VanDerWaalsContact O-N 3.15Å
211	G	97.1	Very high	98.3	Very high	25 Å²	25	31.9 Å²	31.9	26%	0.258	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	82	9.9	-177.6	0	0	0	0	0	114.7	L135 I207 E208	L135-G211 PolarHBondContact N-O 3.48Å; I207-G211 PolarHBondContact O-N 3.31Å; E208-G211 PolarHBondContact O-N 3.33Å
212	G	98.4	Very high	98.3	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	155.8	176.3	0	0	0	0	0	113.4	L135 I207 E208	L135-G212 CarbonylContact O-C 3.46Å; L135-G212 WeakPolarHBondContact O-CA 3.36Å; I207-G212 PolarHBondContact O-N 3.24Å; E208-G212 WeakPolarHBondContact CA-O 2.92Å
213	D	98.6	Very high	98.3	Very high	39 Å²	39	26.6 Å²	26.6	21%	0.209	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	109.3	174.6	-172.4	0.8	0	0	0	110.6	K134 L135 Q215 S216	K134-D213 HydrophobicContact CB-CB 3.73Å; L135-D213 WeakPolarHBondContact O-CB 3.31Å; L135-D213 PolarHBondContact O-N 3.36Å; D213-Q215 PolarHBondContact O-N 3.17Å; D213-Q215 WeakPolarHBondContact OD1-CB 3.46Å; D213-Q215 PolarHBondContact OD1-N 3.41Å; D213-S216 CarbonylContact O-C 3.54Å; D213-S216 PolarHBondContact O-N 2.96Å
214	P	98.6	Very high	98.2	Very high	6 Å²	6	26.6 Å²	26.6	4%	0.039	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.9	-19.2	175.8	27.1	-34.7	0	0	0	112.5	Q204 I207 E208 S216 V217 H243	Q204-P214 PolarHBondContact NE2-O 3.13Å; Q204-P214 PolarHBondContact OE1-O 3.28Å; I207-P214 HydrophobicContact CG2-CB 4.24Å; E208-P214 HydrophobicContact CG-CG 3.75Å; E208-P214 WeakPolarHBondContact OE1-CD 3.16Å; E208-P214 WeakPolarHBondContact OE1-CG 3.03Å; P214-S216 VanDerWaalsContact C-N 3.32Å; P214-V217 WeakPolarHBondContact O-CG2 3.08Å; P214-H243 PolarHBondContact O-CE1 3.26Å
215	Q	98.6	Very high	98.2	Very high	127 Å²	127	24.7 Å²	24.7	59%	0.593	14%	0.136	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-86.6	0	176	-55.9	-59.1	-66.6	0	0	113.3	D213 H243	D213-Q215 PolarHBondContact O-N 3.17Å; D213-Q215 WeakPolarHBondContact OD1-CB 3.46Å; D213-Q215 PolarHBondContact OD1-N 3.41Å; Q215-H243 PolarHBondContact O-CD2 2.9Å; Q215-H243 VanDerWaalsContact O-CD2 3.26Å; Q215-H243 PolarHBondContact O-NE2 2.94Å
216	S	98.8	Very high	98.2	Very high	14 Å²	14	19.2 Å²	19.2	10%	0.098	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	62.3	174.9	-171	0	0	0	0	112	P136 V137 D213 P214 K244	P136-S216 WeakPolarHBondContact CA-O 3.47Å; V137-S216 PolarHBondContact N-O 2.89Å; D213-S216 CarbonylContact O-C 3.54Å; D213-S216 PolarHBondContact O-N 2.96Å; P214-S216 VanDerWaalsContact C-N 3.32Å; S216-K244 PolarHBondContact OG-NZ 2.86Å
217	V	98.9	Very high	98.3	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	131.1	176	178.3	0	0	0	0	111.1	V137 V139 V203 P214 F242 H243 K244	V137-V217 HydrophobicContact CB-CG2 4.15Å; V137-V217 HydrophobicContact CG2-CG2 4.48Å; V137-V217 CarbonylContact O-C 3.5Å; V137-V217 WeakPolarHBondContact O-CA 3.16Å; V139-V217 HydrophobicContact CG2-CG1 3.81Å; V203-V217 HydrophobicContact CG1-CG1 4.5Å; V203-V217 HydrophobicContact CG1-CG2 4Å; P214-V217 WeakPolarHBondContact O-CG2 3.08Å; V217-F242 HydrophobicContact CB-CB 4.38Å; V217-F242 HydrophobicContact CG1-CB 4.04Å; V217-H243 PolarHBondContact N-ND1 3.31Å; V217-H243 WeakPolarHBondContact O-CA 3.38Å; V217-H243 PolarHBondContact O-N 3.46Å; V217-K244 PolarHBondContact O-N 2.97Å
218	T	99	Very high	98.3	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	122.6	172.9	-53.9	0	0	0	0	108.6	V137 M138 V139 K244 I246 F494 A495	V137-T218 PolarHBondContact O-N 2.85Å; M138-T218 CarbonylContact C-O 3.59Å; M138-T218 WeakPolarHBondContact CA-O 3.33Å; V139-T218 PolarHBondContact N-O 2.93Å; T218-K244 WeakPolarHBondContact CA-O 3.15Å; T218-K244 HydrophobicContact CG2-CB 3.81Å; T218-K244 WeakPolarHBondContact OG1-CE 3.41Å; T218-I246 HydrophobicContact CG2-CD1 4.09Å; T218-I246 HydrophobicContact CG2-CG1 3.95Å; T218-F494 HydrophobicContact CG2-CD1 4.21Å; T218-F494 HydrophobicContact CG2-CE1 4.13Å; T218-A495 WeakPolarHBondContact OG1-CA 3.31Å
219	I	98.9	Very high	98.3	Very high	0 Å²	0	14 Å²	14	0%	0	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	136.1	167.3	58.3	173.6	0	0	0	109.2	V139 L200 A229 L232 F242 K244 A245 I246	V139-I219 WeakPolarHBondContact O-CA 3.37Å; L200-I219 HydrophobicContact CD1-CG2 4.18Å; L200-I219 HydrophobicContact CD2-CG2 3.64Å; I219-A229 HydrophobicContact CD1-CB 3.97Å; I219-A229 HydrophobicContact CG1-CB 4.26Å; I219-L232 HydrophobicContact CD1-CB 4.04Å; I219-L232 HydrophobicContact CD1-CD1 4.26Å; I219-F242 HydrophobicContact CD1-CD1 3.85Å; I219-F242 HydrophobicContact CD1-CD2 3.89Å; I219-F242 HydrophobicContact CD1-CE1 3.64Å; I219-F242 HydrophobicContact CD1-CE2 3.72Å; I219-F242 HydrophobicContact CD1-CG 3.96Å; I219-F242 HydrophobicContact CD1-CZ 3.59Å; I219-F242 HydrophobicContact CG1-CD1 4.35Å; I219-F242 HydrophobicContact CG1-CD2 3.87Å; I219-F242 HydrophobicContact CG1-CE2 4.12Å; I219-F242 HydrophobicContact CG1-CG 4Å; I219-F242 HydrophobicContact CG1-CZ 4.46Å; I219-F242 HydrophobicContact CG2-CB 3.83Å; I219-F242 HydrophobicContact CG2-CD1 4.06Å; I219-F242 HydrophobicContact CG2-CG 3.94Å; I219-K244 PolarHBondContact N-O 2.85Å; I219-A245 HydrophobicContact CD1-CB 4.32Å; I219-A245 HydrophobicContact CG1-CB 3.84Å; I219-A245 CarbonylContact O-C 3.54Å; I219-A245 VanDerWaalsContact O-CA 3.26Å; I219-A245 WeakPolarHBondContact O-CA 3.41Å; I219-I246 PolarHBondContact O-N 2.7Å
220	A	98.9	Very high	98.5	Very high	0 Å²	0	11.5 Å²	11.5	0%	0	7%	0.065	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	146.9	178.7	0	0	0	0	0	109.1	M138 V139 W140 I141 I246	M138-A220 HydrophobicContact CG-CB 4.11Å; M138-A220 HydrophobicContact SD-CB 4.2Å; V139-A220 PolarHBondContact O-N 2.81Å; W140-A220 CarbonylContact C-O 3.51Å; W140-A220 WeakPolarHBondContact CA-O 3.28Å; W140-A220 HydrophobicContact CE3-CB 3.87Å; W140-A220 HydrophobicContact CZ3-CB 4.14Å; I141-A220 PolarHBondContact N-O 3.35Å; A220-I246 HydrophobicContact CB-CB 3.86Å; A220-I246 HydrophobicContact CB-CD1 4.22Å; A220-I246 HydrophobicContact CB-CG1 4.3Å
221	G	98.8	Very high	98.5	Very high	0 Å²	0	11.2 Å²	11.2	0%	0	6%	0.064	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.7	168.9	172.8	0	0	0	0	0	111.2	I141 A226 I246 Q248	I141-G221 WeakPolarHBondContact O-CA 3.46Å; G221-A226 VanDerWaalsContact O-CB 3.31Å; G221-A226 WeakPolarHBondContact O-CB 3.13Å; G221-I246 PolarHBondContact N-O 3.43Å; G221-Q248 WeakPolarHBondContact O-CB 3.48Å; G221-Q248 PolarHBondContact O-N 2.86Å
222	E	98.6	Very high	98.6	Very high	10 Å²	10	10 Å²	10	5%	0.047	5%	0.052	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	146.2	174.7	-178.1	-86.5	166.9	0	0	110.9	W140 G143 A224 G225 A226 Q248 H453 A454 V457	W140-E222 HydrophobicContact CH2-CB 3.65Å; W140-E222 HydrophobicContact CZ2-CB 3.87Å; G143-E222 WeakPolarHBondContact CA-O 3.4Å; G143-E222 PolarHBondContact N-O 2.87Å; E222-A224 PolarHBondContact O-N 3.34Å; E222-G225 WeakPolarHBondContact O-CA 3.24Å; E222-G225 PolarHBondContact O-N 2.94Å; E222-A226 PolarHBondContact O-N 2.86Å; E222-Q248 CarbonylContact C-O 3.5Å; E222-Q248 VanDerWaalsContact CA-O 3.24Å; E222-Q248 WeakPolarHBondContact CA-O 3.31Å; E222-Q248 HydrophobicContact CB-CB 4.03Å; E222-Q248 HydrophobicContact CG-CB 4.14Å; E222-H453 IonicContact OE1-CD2 2.75Å; E222-H453 PolarHBondContact OE1-CD2 3.16Å; E222-H453 IonicContact OE1-CE1 3.6Å; E222-H453 PolarHBondContact OE1-CE1 3.47Å; E222-H453 VanDerWaalsContact OE1-CE1 3.31Å; E222-H453 IonicContact OE1-CG 3.25Å; E222-H453 IonicContact OE1-ND1 3.3Å; E222-H453 IonicContact OE1-NE2 3.92Å; E222-H453 PolarHBondContact OE1-NE2 2.93Å; E222-A454 HydrophobicContact CG-CB 4.22Å; E222-A454 WeakPolarHBondContact OE1-CB 3.26Å; E222-V457 HydrophobicContact CB-CG2 3.56Å; E222-V457 HydrophobicContact CG-CG2 3.44Å; E222-V457 VanDerWaalsContact CG-CG2 3.44Å
223	S	97.7	Very high	98.6	Very high	12 Å²	12	10 Å²	10	8%	0.084	5%	0.052	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.9	-123.6	178.7	-167.9	0	0	0	0	111.5	G225 A226 I227 Q248 S249 H453	S223-G225 PolarHBondContact O-N 2.86Å; S223-G225 VanDerWaalsContact O-N 3.16Å; S223-A226 WeakPolarHBondContact O-CA 3.26Å; S223-A226 WeakPolarHBondContact O-CB 3.3Å; S223-A226 PolarHBondContact O-N 2.74Å; S223-I227 WeakPolarHBondContact O-CG1 3.19Å; S223-I227 PolarHBondContact O-N 2.93Å; S223-Q248 PolarHBondContact N-O 3.26Å; S223-S249 WeakPolarHBondContact CA-O 3.31Å; S223-H453 WeakPolarHBondContact CB-NE2 3.44Å; S223-H453 PolarHBondContact OG-NE2 3.4Å
224	A	97.6	Very high	98.6	Very high	0 Å²	0	8.6 Å²	8.6	0%	0	4%	0.044	C	C	.	.	H	α-helix	trans	-55.5	-27.9	173.4	0	0	0	0	0	114.7	G145 L146 E222 S228 Y257	G145-A224 VanDerWaalsContact N-CB 3.32Å; L146-A224 HydrophobicContact CD2-CB 3.87Å; L146-A224 HydrophobicContact CG-CB 3.97Å; E222-A224 PolarHBondContact O-N 3.34Å; A224-S228 WeakPolarHBondContact O-CB 3.47Å; A224-S228 PolarHBondContact O-N 2.86Å; A224-S228 PolarHBondContact O-OG 3.29Å; A224-Y257 HydrophobicContact CB-CE1 4.24Å
225	G	98.6	Very high	98.6	Very high	0 Å²	0	8.3 Å²	8.3	0%	0	4%	0.042	C	C	.	.	H	α-helix	trans	-72.9	-37.9	172.3	0	0	0	0	0	112.5	I141 H142 E222 S223 S228 A229	I141-G225 WeakPolarHBondContact O-CA 3.4Å; H142-G225 WeakPolarHBondContact O-CA 3.32Å; H142-G225 PolarHBondContact O-N 2.95Å; E222-G225 WeakPolarHBondContact O-CA 3.24Å; E222-G225 PolarHBondContact O-N 2.94Å; S223-G225 PolarHBondContact O-N 2.86Å; S223-G225 VanDerWaalsContact O-N 3.16Å; G225-S228 WeakPolarHBondContact O-CB 2.96Å; G225-S228 PolarHBondContact O-N 2.89Å; G225-A229 WeakPolarHBondContact O-CB 3.34Å; G225-A229 PolarHBondContact O-N 2.82Å
226	A	98.8	Very high	98.5	Very high	0 Å²	0	5.7 Å²	5.7	0%	0	4%	0.036	C	C	.	.	H	α-helix	trans	-66.5	-41.3	171.5	0	0	0	0	0	111.6	G221 E222 S223 S228 A229 S230 F247 Q248 G250	G221-A226 VanDerWaalsContact O-CB 3.31Å; G221-A226 WeakPolarHBondContact O-CB 3.13Å; E222-A226 PolarHBondContact O-N 2.86Å; S223-A226 WeakPolarHBondContact O-CA 3.26Å; S223-A226 WeakPolarHBondContact O-CB 3.3Å; S223-A226 PolarHBondContact O-N 2.74Å; A226-S228 VanDerWaalsContact C-N 3.33Å; A226-S228 PolarHBondContact O-N 2.91Å; A226-A229 PolarHBondContact O-N 2.86Å; A226-S230 WeakPolarHBondContact O-CB 2.97Å; A226-S230 PolarHBondContact O-N 2.8Å; A226-F247 HydrophobicContact CB-CB 4.22Å; A226-Q248 WeakPolarHBondContact CB-O 3.35Å; A226-G250 CarbonylContact C-O 3.55Å; A226-G250 VanDerWaalsContact CB-O 3.24Å; A226-G250 WeakPolarHBondContact CB-O 3.49Å
227	I	98.6	Very high	98.5	Very high	1 Å²	1	8.4 Å²	8.4	1%	0.005	5%	0.049	C	C	.	.	H	α-helix	trans	-59.7	-46.1	172.6	-64.5	169.6	0	0	0	109.9	S223 S230 I231 L254 Y257	S223-I227 WeakPolarHBondContact O-CG1 3.19Å; S223-I227 PolarHBondContact O-N 2.93Å; I227-S230 WeakPolarHBondContact O-CB 3.47Å; I227-S230 PolarHBondContact O-N 2.75Å; I227-I231 HydrophobicContact CG2-CD1 3.79Å; I227-I231 HydrophobicContact CG2-CG1 4.41Å; I227-I231 VanDerWaalsContact O-CG1 3.3Å; I227-I231 WeakPolarHBondContact O-CG1 3.29Å; I227-I231 PolarHBondContact O-N 3.25Å; I227-L254 HydrophobicContact CD1-CB 4.4Å; I227-L254 HydrophobicContact CD1-CD2 3.74Å; I227-Y257 HydrophobicContact CB-CD1 4.49Å; I227-Y257 HydrophobicContact CD1-CD1 3.93Å; I227-Y257 HydrophobicContact CD1-CD2 3.74Å; I227-Y257 HydrophobicContact CD1-CE1 3.86Å; I227-Y257 HydrophobicContact CD1-CE2 3.66Å; I227-Y257 HydrophobicContact CD1-CG 3.86Å; I227-Y257 HydrophobicContact CG2-CD1 3.78Å; I227-Y257 HydrophobicContact CG2-CG 3.77Å
228	S	98.8	Very high	98.5	Very high	0 Å²	0	8.4 Å²	8.4	0%	0	5%	0.049	C	C	.	.	H	α-helix	trans	-58.8	-48.5	175	-65.8	0	0	0	0	111.7	Q196 A224 G225 A226 S230 I231 L232	Q196-S228 PolarHBondContact NE2-OG 2.9Å; Q196-S228 VanDerWaalsContact NE2-OG 3.17Å; Q196-S228 VanDerWaalsContact OE1-CB 3.29Å; A224-S228 WeakPolarHBondContact O-CB 3.47Å; A224-S228 PolarHBondContact O-N 2.86Å; A224-S228 PolarHBondContact O-OG 3.29Å; G225-S228 WeakPolarHBondContact O-CB 2.96Å; G225-S228 PolarHBondContact O-N 2.89Å; A226-S228 VanDerWaalsContact C-N 3.33Å; A226-S228 PolarHBondContact O-N 2.91Å; S228-S230 VanDerWaalsContact C-N 3.28Å; S228-S230 PolarHBondContact O-N 3.16Å; S228-I231 PolarHBondContact O-N 3.17Å; S228-L232 VanDerWaalsContact O-CG 3.31Å; S228-L232 WeakPolarHBondContact O-CG 3.5Å; S228-L232 PolarHBondContact O-N 2.82Å
229	A	98.8	Very high	98.4	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-59.2	-40.3	176.3	0	0	0	0	0	111.9	I141 I219 G225 A226 L232 T233 F247	I141-A229 HydrophobicContact CD1-CB 4.42Å; I219-A229 HydrophobicContact CD1-CB 3.97Å; I219-A229 HydrophobicContact CG1-CB 4.26Å; G225-A229 WeakPolarHBondContact O-CB 3.34Å; G225-A229 PolarHBondContact O-N 2.82Å; A226-A229 PolarHBondContact O-N 2.86Å; A229-L232 PolarHBondContact O-N 2.87Å; A229-T233 WeakPolarHBondContact O-CG2 3.14Å; A229-T233 PolarHBondContact O-N 3.14Å; A229-F247 VanDerWaalsContact C-CE1 3.45Å; A229-F247 HydrophobicContact CB-CD1 3.86Å; A229-F247 HydrophobicContact CB-CE1 3.85Å
230	S	98.7	Very high	98.4	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-64.5	-44.9	175.1	-172.7	0	0	0	0	111.6	A226 I227 S228 L232 T233 F247 A252	A226-S230 WeakPolarHBondContact O-CB 2.97Å; A226-S230 PolarHBondContact O-N 2.8Å; I227-S230 WeakPolarHBondContact O-CB 3.47Å; I227-S230 PolarHBondContact O-N 2.75Å; S228-S230 VanDerWaalsContact C-N 3.28Å; S228-S230 PolarHBondContact O-N 3.16Å; S230-L232 VanDerWaalsContact C-N 3.34Å; S230-L232 PolarHBondContact O-N 3.36Å; S230-T233 WeakPolarHBondContact O-CB 3.47Å; S230-T233 PolarHBondContact O-N 3.22Å; S230-T233 VanDerWaalsContact O-N 3.13Å; S230-T233 PolarHBondContact O-OG1 2.9Å; S230-F247 VanDerWaalsContact CA-CE1 3.48Å; S230-F247 VanDerWaalsContact N-CE1 3.32Å; S230-A252 VanDerWaalsContact OG-CB 3.31Å; S230-A252 WeakPolarHBondContact OG-CB 3.44Å; S230-A252 PolarHBondContact OG-N 3.4Å
231	I	98.6	Very high	98.4	Very high	2 Å²	2	19.7 Å²	19.7	1%	0.01	11%	0.113	C	C	.	.	H	α-helix	trans	-62.8	-39	175.7	-69.5	167.5	0	0	0	111.4	L193 I227 S228 T233 L234 S235 A252 T258 A308 F314 L315	L193-I231 HydrophobicContact CD1-CG2 4.2Å; I227-I231 HydrophobicContact CG2-CD1 3.79Å; I227-I231 HydrophobicContact CG2-CG1 4.41Å; I227-I231 VanDerWaalsContact O-CG1 3.3Å; I227-I231 WeakPolarHBondContact O-CG1 3.29Å; I227-I231 PolarHBondContact O-N 3.25Å; S228-I231 PolarHBondContact O-N 3.17Å; I231-T233 PolarHBondContact O-N 3Å; I231-L234 WeakPolarHBondContact O-CA 3.33Å; I231-L234 WeakPolarHBondContact O-CB 3.38Å; I231-L234 PolarHBondContact O-N 2.86Å; I231-S235 PolarHBondContact O-N 3.1Å; I231-A252 HydrophobicContact CG1-CB 3.67Å; I231-T258 HydrophobicContact CD1-CG2 4.06Å; I231-T258 HydrophobicContact CG1-CG2 4.17Å; I231-A308 HydrophobicContact CD1-CB 4.08Å; I231-F314 HydrophobicContact CG2-CE1 3.72Å; I231-F314 HydrophobicContact CG2-CZ 4.04Å; I231-L315 HydrophobicContact CG2-CD1 4.43Å
232	L	98.8	Very high	98.4	Very high	0 Å²	0	20 Å²	20	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-61.3	-28.6	176.6	-72.4	168.5	0	0	0	112.2	I141 Q196 L200 I219 S228 A229 S230 L234 S235 S238 F242 F314	I141-L232 HydrophobicContact CD1-CD1 3.71Å; Q196-L232 HydrophobicContact CB-CD1 4.41Å; L200-L232 HydrophobicContact CD1-CD1 4.12Å; I219-L232 HydrophobicContact CD1-CB 4.04Å; I219-L232 HydrophobicContact CD1-CD1 4.26Å; S228-L232 VanDerWaalsContact O-CG 3.31Å; S228-L232 WeakPolarHBondContact O-CG 3.5Å; S228-L232 PolarHBondContact O-N 2.82Å; A229-L232 PolarHBondContact O-N 2.87Å; S230-L232 VanDerWaalsContact C-N 3.34Å; S230-L232 PolarHBondContact O-N 3.36Å; L232-L234 PolarHBondContact O-N 2.97Å; L232-S235 PolarHBondContact O-N 3.11Å; L232-S238 WeakPolarHBondContact CD2-OG 3.47Å; L232-S238 WeakPolarHBondContact O-CB 3.47Å; L232-S238 PolarHBondContact O-OG 3.26Å; L232-F242 HydrophobicContact CB-CE1 4.14Å; L232-F242 HydrophobicContact CB-CZ 4.48Å; L232-F314 HydrophobicContact CD2-CE2 4.04Å; L232-F314 HydrophobicContact CD2-CZ 4.07Å
233	T	98.6	Very high	98.4	Very high	0 Å²	0	22 Å²	22	0%	0	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-16.7	171.3	74.6	0	0	0	0	113.9	A229 S230 I231 F242 A245 F247 L329	A229-T233 WeakPolarHBondContact O-CG2 3.14Å; A229-T233 PolarHBondContact O-N 3.14Å; S230-T233 WeakPolarHBondContact O-CB 3.47Å; S230-T233 PolarHBondContact O-N 3.22Å; S230-T233 VanDerWaalsContact O-N 3.13Å; S230-T233 PolarHBondContact O-OG1 2.9Å; I231-T233 PolarHBondContact O-N 3Å; T233-F242 HydrophobicContact CG2-CE2 4.02Å; T233-F242 HydrophobicContact CG2-CZ 3.94Å; T233-A245 HydrophobicContact CG2-CB 4.18Å; T233-F247 HydrophobicContact CG2-CE1 4.28Å; T233-F247 HydrophobicContact CG2-CZ 3.76Å; T233-L329 WeakPolarHBondContact O-CB 3.31Å; T233-L329 WeakPolarHBondContact O-CG 3.15Å; T233-L329 PolarHBondContact O-N 3.32Å
234	L	98.3	Very high	98.5	Very high	8 Å²	8	22.2 Å²	22.2	4%	0.042	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.3	-13.7	179	-54	178.7	0	0	0	112.5	I231 L232 A252 L315 A319 L322 L323 V328	I231-L234 WeakPolarHBondContact O-CA 3.33Å; I231-L234 WeakPolarHBondContact O-CB 3.38Å; I231-L234 PolarHBondContact O-N 2.86Å; L232-L234 PolarHBondContact O-N 2.97Å; L234-A252 HydrophobicContact CD1-CB 3.77Å; L234-L315 HydrophobicContact CB-CD1 4.17Å; L234-A319 HydrophobicContact CD1-CB 3.63Å; L234-L322 HydrophobicContact CB-CD1 3.92Å; L234-L322 HydrophobicContact CD2-CB 4.31Å; L234-L323 HydrophobicContact CD1-CG 4.44Å; L234-L323 HydrophobicContact CD2-CD2 3.79Å; L234-L323 HydrophobicContact CD2-CG 3.85Å; L234-V328 HydrophobicContact CD2-CB 3.92Å; L234-V328 HydrophobicContact CD2-CG2 3.81Å
235	S	98.2	Very high	98.5	Very high	1 Å²	1	22.2 Å²	22.2	1%	0.007	12%	0.123	C	C	.	.			trans	-83.3	125.3	-180	-178.3	0	0	0	0	111.5	I231 L232 L237 S238 F314	I231-S235 PolarHBondContact O-N 3.1Å; L232-S235 PolarHBondContact O-N 3.11Å; S235-L237 PolarHBondContact O-N 2.86Å; S235-L237 PolarHBondContact OG-N 2.98Å; S235-S238 PolarHBondContact O-N 3.24Å; S235-F314 WeakPolarHBondContact CA-O 3.43Å; S235-F314 WeakPolarHBondContact CB-O 3.49Å; S235-F314 WeakPolarHBondContact OG-CD2 3.47Å; S235-F314 PolarHBondContact OG-O 3.39Å
236	P	97.5	Very high	98.5	Very high	72 Å²	72	22.2 Å²	22.2	47%	0.468	12%	0.123	S	C	.	.	G	3₁₀ helix	trans	-63.6	-25.9	173.7	26.3	-34.1	0	0	0	112.5	S238 K239	P236-S238 PolarHBondContact O-N 2.9Å; P236-K239 WeakPolarHBondContact O-CB 3.35Å; P236-K239 PolarHBondContact O-N 3.24Å
237	L	98.2	Very high	98.5	Very high	70 Å²	70	22.2 Å²	22.2	37%	0.366	12%	0.123	S	C	.	.	G	3₁₀ helix	trans	-70.1	-17.5	-179.8	-58	-174.4	0	0	0	113.3	L197 S235 F314	L197-L237 HydrophobicContact CD1-CB 4.44Å; L197-L237 HydrophobicContact CD2-CB 3.82Å; L197-L237 HydrophobicContact CD2-CD1 4.35Å; S235-L237 PolarHBondContact O-N 2.86Å; S235-L237 PolarHBondContact OG-N 2.98Å; L237-F314 HydrophobicContact CD1-CB 4.14Å; L237-F314 HydrophobicContact CD1-CD2 4.38Å
238	S	98.5	Very high	98.6	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	12%	0.123	C	C	.	.	G	3₁₀ helix	trans	-87.1	-5.6	-179.6	-53.8	0	0	0	0	113.9	L232 S235 P236 G240 L241	L232-S238 WeakPolarHBondContact CD2-OG 3.47Å; L232-S238 WeakPolarHBondContact O-CB 3.47Å; L232-S238 PolarHBondContact O-OG 3.26Å; S235-S238 PolarHBondContact O-N 3.24Å; P236-S238 PolarHBondContact O-N 2.9Å; S238-G240 PolarHBondContact O-N 3.26Å; S238-L241 WeakPolarHBondContact O-CB 3.33Å; S238-L241 PolarHBondContact O-N 3.38Å
239	K	98	Very high	98.5	Very high	166 Å²	166	22.1 Å²	22.1	72%	0.722	12%	0.123	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.4	124	-176	-174.7	176.2	180	177.4	0	111.2	P236 L241 L329	P236-K239 WeakPolarHBondContact O-CB 3.35Å; P236-K239 PolarHBondContact O-N 3.24Å; K239-L241 VanDerWaalsContact C-N 3.32Å; K239-L329 HydrophobicContact CB-CD2 4.1Å; K239-L329 HydrophobicContact CG-CD2 4.25Å
240	G	97.9	Very high	98.5	Very high	49 Å²	49	22.2 Å²	22.2	51%	0.505	12%	0.123	S	C	.	.	T	Hydrogen-bonded Turn	trans	82.8	0.6	178.4	0	0	0	0	0	115	S238	S238-G240 PolarHBondContact O-N 3.26Å
241	L	98.9	Very high	98.4	Very high	22 Å²	22	22.3 Å²	22.3	12%	0.115	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.9	-22.4	178.3	-58.9	-176.1	0	0	0	113.3	L197 L200 R201 Q204 S238 K239	L197-L241 HydrophobicContact CD1-CD1 3.38Å; L197-L241 HydrophobicContact CG-CD1 4.04Å; L200-L241 HydrophobicContact CB-CB 4.12Å; L200-L241 HydrophobicContact CB-CD1 4.09Å; R201-L241 HydrophobicContact CG-CD1 4.05Å; R201-L241 HydrophobicContact CG-CD2 4.01Å; Q204-L241 HydrophobicContact CG-CD2 3.83Å; Q204-L241 PolarHBondContact NE2-O 3.48Å; S238-L241 WeakPolarHBondContact O-CB 3.33Å; S238-L241 PolarHBondContact O-N 3.38Å; K239-L241 VanDerWaalsContact C-N 3.32Å
242	F	98.9	Very high	98.3	Very high	8 Å²	8	22.2 Å²	22.2	4%	0.035	12%	0.124	C	C	.	.			trans	-146.2	165.3	174.6	65.2	-92.3	0	0	0	111.4	L200 V217 I219 L232 T233 L329 V331	L200-F242 HydrophobicContact CD1-CD1 4.31Å; V217-F242 HydrophobicContact CB-CB 4.38Å; V217-F242 HydrophobicContact CG1-CB 4.04Å; I219-F242 HydrophobicContact CD1-CD1 3.85Å; I219-F242 HydrophobicContact CD1-CD2 3.89Å; I219-F242 HydrophobicContact CD1-CE1 3.64Å; I219-F242 HydrophobicContact CD1-CE2 3.72Å; I219-F242 HydrophobicContact CD1-CG 3.96Å; I219-F242 HydrophobicContact CD1-CZ 3.59Å; I219-F242 HydrophobicContact CG1-CD1 4.35Å; I219-F242 HydrophobicContact CG1-CD2 3.87Å; I219-F242 HydrophobicContact CG1-CE2 4.12Å; I219-F242 HydrophobicContact CG1-CG 4Å; I219-F242 HydrophobicContact CG1-CZ 4.46Å; I219-F242 HydrophobicContact CG2-CB 3.83Å; I219-F242 HydrophobicContact CG2-CD1 4.06Å; I219-F242 HydrophobicContact CG2-CG 3.94Å; L232-F242 HydrophobicContact CB-CE1 4.14Å; L232-F242 HydrophobicContact CB-CZ 4.48Å; T233-F242 HydrophobicContact CG2-CE2 4.02Å; T233-F242 HydrophobicContact CG2-CZ 3.94Å; F242-L329 HydrophobicContact CE1-CD1 4.27Å; F242-L329 HydrophobicContact CZ-CD1 3.89Å; F242-V331 HydrophobicContact CD2-CG2 4.4Å; F242-V331 HydrophobicContact CE2-CG2 3.93Å
243	H	98.9	Very high	98.1	Very high	50 Å²	50	22.8 Å²	22.8	23%	0.231	13%	0.127	C	C	.	.	S	Bend	trans	-128.1	-14.3	-166.5	-58	78.5	0	0	0	112.9	P214 Q215 V217 V331 P332	P214-H243 PolarHBondContact O-CE1 3.26Å; Q215-H243 PolarHBondContact O-CD2 2.9Å; Q215-H243 VanDerWaalsContact O-CD2 3.26Å; Q215-H243 PolarHBondContact O-NE2 2.94Å; V217-H243 PolarHBondContact N-ND1 3.31Å; V217-H243 WeakPolarHBondContact O-CA 3.38Å; V217-H243 PolarHBondContact O-N 3.46Å; H243-V331 WeakPolarHBondContact O-CB 3.42Å; H243-P332 VanDerWaalsContact O-CD 3.3Å; H243-P332 WeakPolarHBondContact O-CD 3.44Å
244	K	98.9	Very high	97.6	Very high	17 Å²	17	23.5 Å²	23.5	7%	0.074	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	154.8	-179.6	-70.9	158.7	-78.9	-90.8	0	108.9	S216 V217 T218 I219 P332 F494 A495	S216-K244 PolarHBondContact OG-NZ 2.86Å; V217-K244 PolarHBondContact O-N 2.97Å; T218-K244 WeakPolarHBondContact CA-O 3.15Å; T218-K244 HydrophobicContact CG2-CB 3.81Å; T218-K244 WeakPolarHBondContact OG1-CE 3.41Å; I219-K244 PolarHBondContact N-O 2.85Å; K244-P332 WeakPolarHBondContact CA-O 3.24Å; K244-P332 HydrophobicContact CG-CB 4.27Å; K244-P332 HydrophobicContact CG-CG 4.26Å; K244-F494 HydrophobicContact CB-CE1 3.87Å; K244-F494 HydrophobicContact CB-CZ 4.28Å; K244-F494 WeakPolarHBondContact CD-O 3.35Å; K244-F494 HydrophobicContact CG-CE1 4.42Å; K244-A495 WeakPolarHBondContact CE-O 3.37Å
245	A	98.9	Very high	96.3	Very high	0 Å²	0	26 Å²	26	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	144.8	177.7	0	0	0	0	0	113	I219 T233 F247 V331 P332 V333 M334 F494	I219-A245 HydrophobicContact CD1-CB 4.32Å; I219-A245 HydrophobicContact CG1-CB 3.84Å; I219-A245 CarbonylContact O-C 3.54Å; I219-A245 VanDerWaalsContact O-CA 3.26Å; I219-A245 WeakPolarHBondContact O-CA 3.41Å; T233-A245 HydrophobicContact CG2-CB 4.18Å; A245-F247 HydrophobicContact CB-CD1 4.5Å; A245-F247 HydrophobicContact CB-CE1 3.61Å; A245-F247 HydrophobicContact CB-CZ 3.88Å; A245-V331 HydrophobicContact CB-CG2 4.43Å; A245-P332 PolarHBondContact N-O 2.71Å; A245-V333 HydrophobicContact CB-CG2 4.44Å; A245-V333 CarbonylContact O-C 3.49Å; A245-V333 VanDerWaalsContact O-CA 3.29Å; A245-V333 WeakPolarHBondContact O-CA 3.37Å; A245-M334 PolarHBondContact O-N 2.87Å; A245-F494 WeakPolarHBondContact O-CE1 3.45Å
246	I	98.9	Very high	94.9	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	124.9	174.6	-51.4	-179.7	0	0	0	109.8	M138 T218 I219 A220 G221 Q248 M334 W491 F494	M138-I246 HydrophobicContact CE-CD1 4.06Å; T218-I246 HydrophobicContact CG2-CD1 4.09Å; T218-I246 HydrophobicContact CG2-CG1 3.95Å; I219-I246 PolarHBondContact O-N 2.7Å; A220-I246 HydrophobicContact CB-CB 3.86Å; A220-I246 HydrophobicContact CB-CD1 4.22Å; A220-I246 HydrophobicContact CB-CG1 4.3Å; G221-I246 PolarHBondContact N-O 3.43Å; I246-Q248 HydrophobicContact CG2-CG 3.96Å; I246-M334 CarbonylContact C-O 3.58Å; I246-M334 VanDerWaalsContact CA-O 3.22Å; I246-M334 WeakPolarHBondContact CA-O 3.25Å; I246-M334 HydrophobicContact CG1-CB 4.3Å; I246-M334 HydrophobicContact CG2-CB 4.33Å; I246-W491 VanDerWaalsContact CD1-CD1 3.46Å; I246-W491 HydrophobicContact CD1-CG 4.25Å; I246-F494 HydrophobicContact CD1-CD1 3.74Å; I246-F494 HydrophobicContact CD1-CE1 4.18Å; I246-F494 HydrophobicContact CG1-CD1 3.68Å; I246-F494 HydrophobicContact CG1-CE1 3.57Å
247	F	98.8	Very high	94.3	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	99.3	178.9	-47.2	-32	0	0	0	110.5	A226 A229 S230 T233 A245 G250 V251 V333 M334 M335 G336 H422	A226-F247 HydrophobicContact CB-CB 4.22Å; A229-F247 VanDerWaalsContact C-CE1 3.45Å; A229-F247 HydrophobicContact CB-CD1 3.86Å; A229-F247 HydrophobicContact CB-CE1 3.85Å; S230-F247 VanDerWaalsContact CA-CE1 3.48Å; S230-F247 VanDerWaalsContact N-CE1 3.32Å; T233-F247 HydrophobicContact CG2-CE1 4.28Å; T233-F247 HydrophobicContact CG2-CZ 3.76Å; A245-F247 HydrophobicContact CB-CD1 4.5Å; A245-F247 HydrophobicContact CB-CE1 3.61Å; A245-F247 HydrophobicContact CB-CZ 3.88Å; F247-G250 WeakPolarHBondContact CB-O 3.38Å; F247-V251 HydrophobicContact CB-CG1 4.39Å; F247-V251 HydrophobicContact CD2-CG1 4.21Å; F247-V333 HydrophobicContact CD2-CG1 3.73Å; F247-V333 HydrophobicContact CE2-CG1 3.44Å; F247-V333 VanDerWaalsContact CE2-CG1 3.44Å; F247-V333 HydrophobicContact CG-CG1 4.4Å; F247-V333 HydrophobicContact CZ-CG1 3.89Å; F247-M334 PolarHBondContact N-O 2.8Å; F247-M335 HydrophobicContact CB-CB 3.85Å; F247-M335 HydrophobicContact CD2-CB 4.16Å; F247-M335 HydrophobicContact CD2-CE 3.82Å; F247-M335 HydrophobicContact CE2-CE 4.03Å; F247-M335 HydrophobicContact CG-CB 4.43Å; F247-M335 WeakPolarHBondContact O-CA 3.3Å; F247-G336 PolarHBondContact O-N 2.88Å; F247-G336 VanDerWaalsContact O-N 3.09Å; F247-H422 AromaticContact CE2-NE2 3.77Å
248	Q	98.8	Very high	94	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	112.4	177.1	-54.1	-174.4	-126.7	0	0	109.3	G221 E222 S223 A226 I246 G250 Y432 D456 M460 W491	G221-Q248 WeakPolarHBondContact O-CB 3.48Å; G221-Q248 PolarHBondContact O-N 2.86Å; E222-Q248 CarbonylContact C-O 3.5Å; E222-Q248 VanDerWaalsContact CA-O 3.24Å; E222-Q248 WeakPolarHBondContact CA-O 3.31Å; E222-Q248 HydrophobicContact CB-CB 4.03Å; E222-Q248 HydrophobicContact CG-CB 4.14Å; S223-Q248 PolarHBondContact N-O 3.26Å; A226-Q248 WeakPolarHBondContact CB-O 3.35Å; I246-Q248 HydrophobicContact CG2-CG 3.96Å; Q248-G250 PolarHBondContact O-N 3.11Å; Q248-Y432 WeakPolarHBondContact CB-OH 3.35Å; Q248-Y432 VanDerWaalsContact CG-OH 3.27Å; Q248-Y432 WeakPolarHBondContact CG-OH 3.16Å; Q248-D456 VanDerWaalsContact NE2-CG 3.32Å; Q248-D456 PolarHBondContact NE2-OD2 3.49Å; Q248-M460 PolarHBondContact OE1-SD 2.95Å; Q248-W491 HydrophobicContact CG-CZ2 4.49Å
249	S	98.3	Very high	93.5	Very high	0 Å²	0	25 Å²	25	0%	0	15%	0.153	C	C	.	.	S	Bend	trans	55.3	45.7	173.6	-58.8	0	0	0	0	114.1	S223 G336 E341	S223-S249 WeakPolarHBondContact CA-O 3.31Å; S249-G336 PolarHBondContact N-O 2.79Å; S249-E341 WeakPolarHBondContact CB-OE1 3.2Å; S249-E341 WeakPolarHBondContact CB-OE2 3.46Å; S249-E341 PolarHBondContact OG-OE1 2.8Å; S249-E341 PolarHBondContact OG-OE2 2.95Å
250	G	97.5	Very high	93.2	Very high	1 Å²	1	22.4 Å²	22.4	1%	0.01	15%	0.147	C	C	.	.			trans	174.8	137.8	175.8	0	0	0	0	0	113.9	A226 F247 Q248	A226-G250 CarbonylContact C-O 3.55Å; A226-G250 VanDerWaalsContact CB-O 3.24Å; A226-G250 WeakPolarHBondContact CB-O 3.49Å; F247-G250 WeakPolarHBondContact CB-O 3.38Å; Q248-G250 PolarHBondContact O-N 3.11Å
251	V	97.8	Very high	92.8	Very high	3 Å²	3	25.6 Å²	25.6	2%	0.018	15%	0.149	C	C	.	.			trans	-143.9	160.1	-179.5	-66.4	0	0	0	0	112.2	F247 T253 L254 P414 T415 V418	F247-V251 HydrophobicContact CB-CG1 4.39Å; F247-V251 HydrophobicContact CD2-CG1 4.21Å; V251-T253 PolarHBondContact O-N 3.39Å; V251-T253 VanDerWaalsContact O-N 3.13Å; V251-L254 PolarHBondContact O-N 3.03Å; V251-P414 HydrophobicContact CG2-CB 3.64Å; V251-T415 HydrophobicContact CG1-CG2 4.44Å; V251-V418 HydrophobicContact CB-CB 4.13Å; V251-V418 HydrophobicContact CB-CG1 4.14Å; V251-V418 HydrophobicContact CB-CG2 3.89Å; V251-V418 HydrophobicContact CG1-CB 4.09Å; V251-V418 HydrophobicContact CG1-CG1 3.99Å; V251-V418 HydrophobicContact CG1-CG2 4.41Å; V251-V418 HydrophobicContact CG2-CB 4.22Å; V251-V418 HydrophobicContact CG2-CG2 3.73Å
252	A	95.9	Very high	92.6	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63	-21.4	-171.9	0	0	0	0	0	115.2	S230 I231 L234 L254 A319	S230-A252 VanDerWaalsContact OG-CB 3.31Å; S230-A252 WeakPolarHBondContact OG-CB 3.44Å; S230-A252 PolarHBondContact OG-N 3.4Å; I231-A252 HydrophobicContact CG1-CB 3.67Å; L234-A252 HydrophobicContact CD1-CB 3.77Å; A252-L254 PolarHBondContact O-N 3.45Å; A252-A319 VanDerWaalsContact C-CB 3.48Å; A252-A319 HydrophobicContact CB-CB 3.6Å; A252-A319 WeakPolarHBondContact O-CB 3.3Å
253	T	93.8	Very high	92.4	Very high	12 Å²	12	28.1 Å²	28.1	7%	0.074	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.8	3.9	179.9	57.6	0	0	0	0	113.8	V251 G255 A319 D320 L323 V418	V251-T253 PolarHBondContact O-N 3.39Å; V251-T253 VanDerWaalsContact O-N 3.13Å; T253-G255 PolarHBondContact O-N 3.39Å; T253-A319 HydrophobicContact CG2-CB 4.29Å; T253-D320 WeakPolarHBondContact CG2-OD1 3.39Å; T253-L323 HydrophobicContact CG2-CD1 3.5Å; T253-L323 VanDerWaalsContact CG2-CD1 3.5Å; T253-V418 HydrophobicContact CG2-CG2 3.63Å; T253-V418 VanDerWaalsContact OG1-CG2 3.25Å; T253-V418 WeakPolarHBondContact OG1-CG2 3.14Å
254	L	88.3	Confident	92	Very high	15 Å²	15	30.7 Å²	30.7	8%	0.079	18%	0.179	C	C	.	.	S	Bend	trans	-69.2	105	171.8	-169.4	58.1	0	0	0	109.4	I227 V251 A252 T256 Y257 L410	I227-L254 HydrophobicContact CD1-CB 4.4Å; I227-L254 HydrophobicContact CD1-CD2 3.74Å; V251-L254 PolarHBondContact O-N 3.03Å; A252-L254 PolarHBondContact O-N 3.45Å; L254-T256 PolarHBondContact O-N 3.01Å; L254-Y257 HydrophobicContact CB-CD2 4.09Å; L254-Y257 HydrophobicContact CD2-CD2 3.79Å; L254-Y257 HydrophobicContact CD2-CE2 3.62Å; L254-Y257 HydrophobicContact CG-CD2 3.91Å; L254-Y257 HydrophobicContact CG-CE2 4.2Å; L254-Y257 WeakPolarHBondContact O-CB 3.5Å; L254-Y257 PolarHBondContact O-N 3.26Å; L254-L410 HydrophobicContact CD1-CD2 3.81Å; L254-L410 VanDerWaalsContact CD1-O 3.24Å; L254-L410 WeakPolarHBondContact CD1-O 3.39Å; L254-L410 HydrophobicContact CD2-CD2 4.47Å
255	G	71.1	Confident	91.6	Very high	61 Å²	61	32.7 Å²	32.7	63%	0.629	19%	0.189	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.4	-13.9	-157.1	0	0	0	0	0	118.3	T253	T253-G255 PolarHBondContact O-N 3.39Å
256	T	70	Confident	91.5	Very high	74 Å²	74	32.8 Å²	32.8	45%	0.454	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.8	-11.8	173.3	51.3	0	0	0	0	113.6	L254	L254-T256 PolarHBondContact O-N 3.01Å
257	Y	84.8	Confident	91.3	Very high	13 Å²	13	35.8 Å²	35.8	5%	0.051	20%	0.203	C	C	.	.	S	Bend	trans	-100	-5.2	-172.3	-73.1	-95.1	0	0	0	114.6	G145 L146 A224 I227 L254 I305 A308	G145-Y257 WeakPolarHBondContact CA-OH 3.24Å; L146-Y257 HydrophobicContact CD1-CD1 3.58Å; L146-Y257 HydrophobicContact CD1-CE1 3.74Å; L146-Y257 HydrophobicContact CG-CD1 4.19Å; L146-Y257 HydrophobicContact CG-CE1 3.86Å; A224-Y257 HydrophobicContact CB-CE1 4.24Å; I227-Y257 HydrophobicContact CB-CD1 4.49Å; I227-Y257 HydrophobicContact CD1-CD1 3.93Å; I227-Y257 HydrophobicContact CD1-CD2 3.74Å; I227-Y257 HydrophobicContact CD1-CE1 3.86Å; I227-Y257 HydrophobicContact CD1-CE2 3.66Å; I227-Y257 HydrophobicContact CD1-CG 3.86Å; I227-Y257 HydrophobicContact CG2-CD1 3.78Å; I227-Y257 HydrophobicContact CG2-CG 3.77Å; L254-Y257 HydrophobicContact CB-CD2 4.09Å; L254-Y257 HydrophobicContact CD2-CD2 3.79Å; L254-Y257 HydrophobicContact CD2-CE2 3.62Å; L254-Y257 HydrophobicContact CG-CD2 3.91Å; L254-Y257 HydrophobicContact CG-CE2 4.2Å; L254-Y257 WeakPolarHBondContact O-CB 3.5Å; L254-Y257 PolarHBondContact O-N 3.26Å; Y257-I305 HydrophobicContact CD1-CG2 4.37Å; Y257-I305 HydrophobicContact CE1-CG2 3.8Å; Y257-I305 HydrophobicContact CE2-CG2 4.21Å; Y257-A308 WeakPolarHBondContact O-CB 3.26Å; Y257-A308 PolarHBondContact O-N 2.72Å
258	T	90.7	Very high	91	Very high	10 Å²	10	39.9 Å²	39.9	6%	0.061	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	125.3	164.2	65.2	0	0	0	0	110	I231 A308 L315 A319	I231-T258 HydrophobicContact CD1-CG2 4.06Å; I231-T258 HydrophobicContact CG1-CG2 4.17Å; T258-A308 CarbonylContact C-O 3.51Å; T258-A308 VanDerWaalsContact CA-O 3.3Å; T258-A308 WeakPolarHBondContact CA-O 3.46Å; T258-A308 HydrophobicContact CG2-CB 4.36Å; T258-L315 HydrophobicContact CG2-CD2 3.91Å; T258-A319 HydrophobicContact CG2-CB 3.96Å; T258-A319 PolarHBondContact OG1-N 2.83Å
259	S	89.4	Confident	90.8	Very high	23 Å²	23	40 Å²	40	16%	0.161	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	137	-176.9	-171.3	0	0	0	0	112.5	Q261 A308 A309 V310	S259-Q261 PolarHBondContact OG-N 3.04Å; S259-Q261 VanDerWaalsContact OG-N 3.15Å; S259-A308 PolarHBondContact N-O 2.03Å; S259-A309 WeakPolarHBondContact O-CA 3.43Å; S259-V310 PolarHBondContact O-N 3.47Å
260	D	90.6	Very high	90.7	Very high	112 Å²	112	40 Å²	40	60%	0.599	22%	0.224	S	C	*	.	S	Bend	trans	-94.3	1.5	169.3	60.4	-12.4	0	0	0	112.8	V310 T318	D260-V310 HydrophobicContact CB-CB 4.44Å; D260-V310 HydrophobicContact CB-CG2 4.3Å; D260-T318 HydrophobicContact CB-CG2 4.33Å
261	Q	90.7	Very high	90.5	Very high	117 Å²	117	45.7 Å²	45.7	55%	0.547	26%	0.255	S	S	.	.			trans	-129	52.6	179.6	-63.3	-170.4	-14.8	0	0	112.9	S259 L263 L264 Q265	S259-Q261 PolarHBondContact OG-N 3.04Å; S259-Q261 VanDerWaalsContact OG-N 3.15Å; Q261-L263 PolarHBondContact O-N 3.3Å; Q261-L263 VanDerWaalsContact O-N 3.15Å; Q261-L264 HydrophobicContact CB-CD1 4.45Å; Q261-L264 PolarHBondContact O-N 3.08Å; Q261-Q265 PolarHBondContact O-OE1 3.39Å
262	P	93.4	Very high	90.3	Very high	19 Å²	19	48.3 Å²	48.3	12%	0.123	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-22.3	-172.2	27.9	-37.1	0	0	0	114.7	S181 L264 Q265 A266 A309	S181-P262 CarbonylContact O-C 3.6Å; S181-P262 WeakPolarHBondContact OG-CG 3.45Å; P262-L264 PolarHBondContact O-N 3.49Å; P262-Q265 PolarHBondContact O-N 3.35Å; P262-Q265 PolarHBondContact O-OE1 3.05Å; P262-A266 PolarHBondContact O-N 2.67Å; P262-A266 VanDerWaalsContact O-N 3.11Å; P262-A309 HydrophobicContact CB-CB 4.26Å; P262-A309 HydrophobicContact CG-CB 4.24Å
263	L	94.8	Very high	90.3	Very high	64 Å²	64	49 Å²	49	34%	0.335	27%	0.272	S	S	.	.	H	α-helix	trans	-61.2	-30.5	-177.8	-174.5	62.4	0	0	0	112.8	Q261 A266 H267 T280	Q261-L263 PolarHBondContact O-N 3.3Å; Q261-L263 VanDerWaalsContact O-N 3.15Å; L263-A266 HydrophobicContact CD1-CB 4.46Å; L263-A266 PolarHBondContact O-N 3.41Å; L263-H267 PolarHBondContact O-N 2.89Å; L263-T280 HydrophobicContact CD1-CG2 3.81Å
264	L	90.9	Very high	90.4	Very high	103 Å²	103	51.5 Å²	51.5	54%	0.539	30%	0.301	S	S	.	.	H	α-helix	trans	-62.4	-45.3	177.5	-69.4	176.7	0	0	0	111.2	Q261 P262 H267 I268	Q261-L264 HydrophobicContact CB-CD1 4.45Å; Q261-L264 PolarHBondContact O-N 3.08Å; P262-L264 PolarHBondContact O-N 3.49Å; L264-H267 PolarHBondContact O-N 2.97Å; L264-I268 WeakPolarHBondContact O-CG1 3.35Å; L264-I268 PolarHBondContact O-N 3.04Å
265	Q	91.3	Very high	90.8	Very high	60 Å²	60	51.2 Å²	51.2	28%	0.28	30%	0.3	S	S	.	.	H	α-helix	trans	-68.7	-36.7	176.4	-64.5	82.8	-9.9	0	0	111.3	Q261 P262 H267 I268 V269 L306	Q261-Q265 PolarHBondContact O-OE1 3.39Å; P262-Q265 PolarHBondContact O-N 3.35Å; P262-Q265 PolarHBondContact O-OE1 3.05Å; Q265-H267 VanDerWaalsContact C-N 3.31Å; Q265-H267 PolarHBondContact O-N 3.27Å; Q265-I268 WeakPolarHBondContact O-CB 3.41Å; Q265-I268 PolarHBondContact O-N 3.39Å; Q265-I268 VanDerWaalsContact O-N 3.13Å; Q265-V269 WeakPolarHBondContact O-CG2 3.36Å; Q265-V269 PolarHBondContact O-N 2.86Å; Q265-L306 HydrophobicContact CB-CD2 3.56Å; Q265-L306 HydrophobicContact CG-CD2 4.16Å
266	A	95.2	Very high	91.8	Very high	1 Å²	1	51.2 Å²	51.2	1%	0.008	29%	0.29	C	S	.	.	H	α-helix	trans	-60.6	-38.3	175.3	0	0	0	0	0	112.6	L180 S181 P262 L263 V269 A270 L283	L180-A266 HydrophobicContact CD1-CB 4.05Å; S181-A266 WeakPolarHBondContact O-CB 3.21Å; P262-A266 PolarHBondContact O-N 2.67Å; P262-A266 VanDerWaalsContact O-N 3.11Å; L263-A266 HydrophobicContact CD1-CB 4.46Å; L263-A266 PolarHBondContact O-N 3.41Å; A266-V269 PolarHBondContact O-N 3.25Å; A266-A270 WeakPolarHBondContact O-CB 3.5Å; A266-A270 PolarHBondContact O-N 3.08Å; A266-L283 HydrophobicContact CB-CD2 4.26Å
267	H	95.2	Very high	93	Very high	64 Å²	64	52.1 Å²	52.1	30%	0.296	29%	0.291	S	S	.	.	H	α-helix	trans	-66.4	-35.3	174.1	-69	164.7	0	0	0	113	L263 L264 Q265 V269 A270 N271 I277	L263-H267 PolarHBondContact O-N 2.89Å; L264-H267 PolarHBondContact O-N 2.97Å; Q265-H267 VanDerWaalsContact C-N 3.31Å; Q265-H267 PolarHBondContact O-N 3.27Å; H267-V269 VanDerWaalsContact C-N 3.35Å; H267-A270 WeakPolarHBondContact O-CB 3.42Å; H267-A270 PolarHBondContact O-N 2.97Å; H267-N271 PolarHBondContact O-N 3.38Å; H267-N271 PolarHBondContact O-ND2 2.66Å; H267-I277 HydrophobicContact CB-CG2 4.49Å
268	I	92.9	Very high	93.4	Very high	85 Å²	85	56.1 Å²	56.1	44%	0.436	32%	0.32	S	S	.	.	H	α-helix	trans	-64.2	-44.4	173.8	-59.2	170.2	0	0	0	109.7	L264 Q265 A270 N271 L272 I304	L264-I268 WeakPolarHBondContact O-CG1 3.35Å; L264-I268 PolarHBondContact O-N 3.04Å; Q265-I268 WeakPolarHBondContact O-CB 3.41Å; Q265-I268 PolarHBondContact O-N 3.39Å; Q265-I268 VanDerWaalsContact O-N 3.13Å; I268-A270 VanDerWaalsContact C-N 3.33Å; I268-A270 PolarHBondContact O-N 3.21Å; I268-N271 PolarHBondContact O-N 3.24Å; I268-L272 HydrophobicContact CG2-CD1 4.23Å; I268-L272 WeakPolarHBondContact O-CG 3.42Å; I268-L272 PolarHBondContact O-N 3.12Å; I268-L272 VanDerWaalsContact O-N 3.09Å; I268-I304 HydrophobicContact CB-CD1 4.29Å; I268-I304 HydrophobicContact CG2-CD1 3.37Å; I268-I304 HydrophobicContact CG2-CG1 4.37Å
269	V	94.7	Very high	93.7	Very high	2 Å²	2	58 Å²	58	1%	0.012	33%	0.333	C	S	.	.	H	α-helix	trans	-61.4	-41.4	174.8	173.7	0	0	0	0	111.4	I176 L180 Q265 A266 H267 N271 L272 T273 L287 L306	I176-V269 HydrophobicContact CD1-CG1 3.66Å; I176-V269 HydrophobicContact CD1-CG2 4.35Å; I176-V269 HydrophobicContact CG1-CG1 3.89Å; I176-V269 HydrophobicContact CG1-CG2 4.08Å; I176-V269 HydrophobicContact CG2-CG1 4.1Å; L180-V269 HydrophobicContact CD1-CB 4.06Å; L180-V269 HydrophobicContact CD1-CG1 4.05Å; L180-V269 HydrophobicContact CD1-CG2 4.13Å; Q265-V269 WeakPolarHBondContact O-CG2 3.36Å; Q265-V269 PolarHBondContact O-N 2.86Å; A266-V269 PolarHBondContact O-N 3.25Å; H267-V269 VanDerWaalsContact C-N 3.35Å; V269-N271 VanDerWaalsContact C-N 3.32Å; V269-N271 PolarHBondContact O-N 3.24Å; V269-L272 PolarHBondContact O-N 3.08Å; V269-T273 HydrophobicContact CG1-CG2 4.12Å; V269-T273 WeakPolarHBondContact O-CB 3.42Å; V269-T273 VanDerWaalsContact O-CG2 3.31Å; V269-T273 WeakPolarHBondContact O-CG2 3.3Å; V269-T273 PolarHBondContact O-N 3.04Å; V269-T273 PolarHBondContact O-OG1 2.91Å; V269-L287 HydrophobicContact CG1-CD1 4.4Å; V269-L287 HydrophobicContact CG1-CD2 4.18Å; V269-L306 HydrophobicContact CG2-CD1 4.4Å
270	A	95.6	Very high	94.1	Very high	0 Å²	0	58.2 Å²	58.2	0%	0	33%	0.334	C	S	.	.	H	α-helix	trans	-56.8	-46	176	0	0	0	0	0	111.6	A266 H267 I268 T273 G274 C275 I277 L283	A266-A270 WeakPolarHBondContact O-CB 3.5Å; A266-A270 PolarHBondContact O-N 3.08Å; H267-A270 WeakPolarHBondContact O-CB 3.42Å; H267-A270 PolarHBondContact O-N 2.97Å; I268-A270 VanDerWaalsContact C-N 3.33Å; I268-A270 PolarHBondContact O-N 3.21Å; A270-T273 PolarHBondContact O-N 3Å; A270-T273 PolarHBondContact O-OG1 2.66Å; A270-G274 CarbonylContact O-C 3.55Å; A270-G274 PolarHBondContact O-N 3.18Å; A270-C275 PolarHBondContact O-N 3.44Å; A270-I277 HydrophobicContact CB-CG2 3.47Å; A270-I277 VanDerWaalsContact CB-CG2 3.47Å; A270-L283 HydrophobicContact CB-CD1 3.45Å; A270-L283 VanDerWaalsContact CB-CD1 3.45Å; A270-L283 HydrophobicContact CB-CD2 4.17Å; A270-L283 HydrophobicContact CB-CG 4.47Å
271	N	94.4	Very high	94.4	Very high	121 Å²	121	57.1 Å²	57.1	65%	0.647	33%	0.325	S	S	*	.	H	α-helix	trans	-63.2	-43.2	177.5	-71.1	-21.8	0	0	0	112.7	H267 I268 V269 T273 G274	H267-N271 PolarHBondContact O-N 3.38Å; H267-N271 PolarHBondContact O-ND2 2.66Å; I268-N271 PolarHBondContact O-N 3.24Å; V269-N271 VanDerWaalsContact C-N 3.32Å; V269-N271 PolarHBondContact O-N 3.24Å; N271-T273 VanDerWaalsContact C-N 3.29Å; N271-T273 PolarHBondContact O-N 2.86Å; N271-G274 PolarHBondContact O-N 3.38Å
272	L	93.7	Very high	94.6	Very high	59 Å²	59	55.6 Å²	55.6	31%	0.309	32%	0.318	S	S	.	.	H	α-helix	trans	-68.2	-29.7	179.9	-68.9	171.3	0	0	0	113	I268 V269 V298 I304	I268-L272 HydrophobicContact CG2-CD1 4.23Å; I268-L272 WeakPolarHBondContact O-CG 3.42Å; I268-L272 PolarHBondContact O-N 3.12Å; I268-L272 VanDerWaalsContact O-N 3.09Å; V269-L272 PolarHBondContact O-N 3.08Å; L272-V298 HydrophobicContact CB-CG1 4.04Å; L272-V298 HydrophobicContact CB-CG2 4.23Å; L272-V298 HydrophobicContact CD1-CG1 4.01Å; L272-I304 HydrophobicContact CD1-CD1 3.38Å
273	T	94.3	Very high	94.8	Very high	13 Å²	13	54.8 Å²	54.8	8%	0.08	31%	0.313	C	S	.	.	H	α-helix	trans	-94.1	-7.4	-178.9	54.7	0	0	0	0	113	V269 A270 N271 C275 L287 K290 V298	V269-T273 HydrophobicContact CG1-CG2 4.12Å; V269-T273 WeakPolarHBondContact O-CB 3.42Å; V269-T273 VanDerWaalsContact O-CG2 3.31Å; V269-T273 WeakPolarHBondContact O-CG2 3.3Å; V269-T273 PolarHBondContact O-N 3.04Å; V269-T273 PolarHBondContact O-OG1 2.91Å; A270-T273 PolarHBondContact O-N 3Å; A270-T273 PolarHBondContact O-OG1 2.66Å; N271-T273 VanDerWaalsContact C-N 3.29Å; N271-T273 PolarHBondContact O-N 2.86Å; T273-C275 PolarHBondContact O-N 2.81Å; T273-L287 HydrophobicContact CG2-CD2 3.76Å; T273-L287 WeakPolarHBondContact OG1-CD2 3.25Å; T273-K290 WeakPolarHBondContact O-CE 3.23Å; T273-K290 PolarHBondContact O-NZ 2.78Å; T273-V298 HydrophobicContact CG2-CG2 3.91Å
274	G	95.5	Very high	94.9	Very high	65 Å²	65	51.9 Å²	51.9	67%	0.67	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.2	20.6	-172.8	0	0	0	0	0	113.7	A270 N271	A270-G274 CarbonylContact O-C 3.55Å; A270-G274 PolarHBondContact O-N 3.18Å; N271-G274 PolarHBondContact O-N 3.38Å
275	C	96.7	Very high	95.1	Very high	9 Å²	9	52.3 Å²	52.3	6%	0.061	29%	0.292	C	S	.	.			trans	-80.9	142.3	175.8	-75.2	0	0	0	0	111.6	A270 T273 L283 C286	A270-C275 PolarHBondContact O-N 3.44Å; T273-C275 PolarHBondContact O-N 2.81Å; C275-L283 HydrophobicContact CB-CD1 3.63Å; C275-C286 WeakPolarHBondContact CA-SG 3.41Å; C275-C286 HydrophobicContact CB-CB 3.69Å; C275-C286 WeakPolarHBondContact CB-SG 3.33Å; C275-C286 WeakPolarHBondContact SG-CB 3.46Å; C275-C286 CovalentContact SG-SG 2.04Å; C275-C286 PolarHBondContact SG-SG 3.32Å
276	C	93.4	Very high	95.4	Very high	61 Å²	61	51.5 Å²	51.5	41%	0.412	29%	0.292	S	S	.	.			trans	-69.6	138.2	178.2	-167.5	0	0	0	0	111.3	C278	C276-C278 HydrophobicContact CB-CB 4.02Å; C276-C278 WeakPolarHBondContact CB-SG 3.42Å; C276-C278 PolarHBondContact O-N 3.37Å; C276-C278 VanDerWaalsContact SG-CA 3.57Å; C276-C278 WeakPolarHBondContact SG-CB 3.47Å; C276-C278 PolarHBondContact SG-N 3.31Å; C276-C278 CovalentContact SG-SG 2.04Å; C276-C278 PolarHBondContact SG-SG 3.24Å
277	I	94.3	Very high	95.4	Very high	93 Å²	93	51.5 Å²	51.5	48%	0.477	29%	0.292	S	S	.	.			trans	-88.1	29	166.2	60.4	171.3	0	0	0	112.2	H267 A270 S279	H267-I277 HydrophobicContact CB-CG2 4.49Å; A270-I277 HydrophobicContact CB-CG2 3.47Å; A270-I277 VanDerWaalsContact CB-CG2 3.47Å; I277-S279 VanDerWaalsContact C-N 3.35Å; I277-S279 PolarHBondContact O-N 3.39Å
278	C	93.4	Very high	95.5	Very high	97 Å²	97	53 Å²	53	66%	0.655	30%	0.295	S	S	*	.	S	Bend	trans	-61.7	-42.9	-176.7	-68.6	0	0	0	0	111.5	C276 E282	C276-C278 HydrophobicContact CB-CB 4.02Å; C276-C278 WeakPolarHBondContact CB-SG 3.42Å; C276-C278 PolarHBondContact O-N 3.37Å; C276-C278 VanDerWaalsContact SG-CA 3.57Å; C276-C278 WeakPolarHBondContact SG-CB 3.47Å; C276-C278 PolarHBondContact SG-N 3.31Å; C276-C278 CovalentContact SG-SG 2.04Å; C276-C278 PolarHBondContact SG-SG 3.24Å; C278-E282 HydrophobicContact CB-CB 4.41Å
279	S	97	Very high	95.6	Very high	50 Å²	50	52 Å²	52	35%	0.35	31%	0.307	S	S	.	.			trans	-156.8	163.8	169.7	68.8	0	0	0	0	108.4	I277 E281 E282 L283	I277-S279 VanDerWaalsContact C-N 3.35Å; I277-S279 PolarHBondContact O-N 3.39Å; S279-E281 VanDerWaalsContact C-N 3.33Å; S279-E282 PolarHBondContact O-N 3.34Å; S279-E282 WeakPolarHBondContact OG-CG 3.44Å; S279-E282 PolarHBondContact OG-N 3.18Å; S279-E282 VanDerWaalsContact OG-N 3.13Å; S279-L283 WeakPolarHBondContact O-CB 3.29Å; S279-L283 PolarHBondContact O-N 2.9Å
280	T	97.2	Very high	95.7	Very high	28 Å²	28	53.7 Å²	53.7	17%	0.172	31%	0.313	C	S	.	.	H	α-helix	trans	-65.7	-36.1	176.4	44.3	0	0	0	0	111.9	T182 D184 H186 L263 L283 V284	T182-T280 HydrophobicContact CG2-CG2 3.9Å; D184-T280 WeakPolarHBondContact OD2-CB 3.45Å; D184-T280 VanDerWaalsContact OD2-CG2 3.3Å; D184-T280 WeakPolarHBondContact OD2-CG2 3.13Å; D184-T280 PolarHBondContact OD2-OG1 3.29Å; H186-T280 PolarHBondContact CD2-OG1 3Å; H186-T280 VanDerWaalsContact CD2-OG1 3.22Å; L263-T280 HydrophobicContact CD1-CG2 3.81Å; T280-L283 PolarHBondContact O-N 3.38Å; T280-V284 WeakPolarHBondContact O-CG2 3.12Å; T280-V284 PolarHBondContact O-N 3.45Å
281	E	96.9	Very high	95.7	Very high	88 Å²	88	57.1 Å²	57.1	41%	0.411	34%	0.335	S	S	.	.	H	α-helix	trans	-60	-49.2	172.2	-166.2	-172.5	167.8	0	0	112.6	S279 L283 V284 R285	S279-E281 VanDerWaalsContact C-N 3.33Å; E281-L283 VanDerWaalsContact C-N 3.33Å; E281-L283 PolarHBondContact O-N 3.44Å; E281-V284 PolarHBondContact O-N 2.83Å; E281-R285 WeakPolarHBondContact O-CB 3.33Å; E281-R285 PolarHBondContact O-N 3.23Å; E281-R285 IonicContact OE1-CZ 3.62Å; E281-R285 IonicContact OE1-NH2 2.7Å; E281-R285 PolarHBondContact OE1-NH2 2.86Å
282	E	96.9	Very high	95.7	Very high	86 Å²	86	53.4 Å²	53.4	40%	0.402	31%	0.313	S	S	.	.	H	α-helix	trans	-65.5	-37.3	178.8	-73.5	-59.3	154.3	0	0	111.9	C278 S279 R285 C286	C278-E282 HydrophobicContact CB-CB 4.41Å; S279-E282 PolarHBondContact O-N 3.34Å; S279-E282 WeakPolarHBondContact OG-CG 3.44Å; S279-E282 PolarHBondContact OG-N 3.18Å; S279-E282 VanDerWaalsContact OG-N 3.13Å; E282-R285 PolarHBondContact O-N 2.86Å; E282-R285 IonicContact OE1-CZ 2.79Å; E282-R285 IonicContact OE1-NH1 2.8Å; E282-R285 PolarHBondContact OE1-NH1 2.84Å; E282-R285 IonicContact OE2-CZ 3.92Å; E282-R285 IonicContact OE2-NH1 3.41Å; E282-R285 PolarHBondContact OE2-NH1 3.36Å; E282-C286 VanDerWaalsContact O-CB 3.31Å; E282-C286 WeakPolarHBondContact O-CB 3.27Å; E282-C286 PolarHBondContact O-N 2.83Å
283	L	97.2	Very high	95.8	Very high	2 Å²	2	56.2 Å²	56.2	1%	0.01	33%	0.329	C	S	.	.	H	α-helix	trans	-60	-51.8	174.5	174.3	55	0	0	0	110.9	T182 A266 A270 C275 S279 T280 E281 R285 C286 L287	T182-L283 HydrophobicContact CG2-CD2 4.45Å; A266-L283 HydrophobicContact CB-CD2 4.26Å; A270-L283 HydrophobicContact CB-CD1 3.45Å; A270-L283 VanDerWaalsContact CB-CD1 3.45Å; A270-L283 HydrophobicContact CB-CD2 4.17Å; A270-L283 HydrophobicContact CB-CG 4.47Å; C275-L283 HydrophobicContact CB-CD1 3.63Å; S279-L283 WeakPolarHBondContact O-CB 3.29Å; S279-L283 PolarHBondContact O-N 2.9Å; T280-L283 PolarHBondContact O-N 3.38Å; E281-L283 VanDerWaalsContact C-N 3.33Å; E281-L283 PolarHBondContact O-N 3.44Å; L283-R285 VanDerWaalsContact C-N 3.34Å; L283-R285 PolarHBondContact O-N 2.89Å; L283-C286 WeakPolarHBondContact O-CB 3.2Å; L283-C286 PolarHBondContact O-N 3.28Å; L283-L287 HydrophobicContact CD1-CD1 3.78Å; L283-L287 HydrophobicContact CD1-CG 4.06Å; L283-L287 HydrophobicContact CG-CD1 4.05Å; L283-L287 WeakPolarHBondContact O-CG 3.24Å; L283-L287 PolarHBondContact O-N 2.9Å
284	V	96.4	Very high	95.8	Very high	3 Å²	3	59 Å²	59	2%	0.018	34%	0.341	C	S	.	.	H	α-helix	trans	-63.8	-40.5	179.6	174.6	0	0	0	0	111	T182 H186 A187 T280 E281 C286 L287 R288	T182-V284 HydrophobicContact CG2-CG2 3.99Å; H186-V284 HydrophobicContact CB-CG2 4.2Å; A187-V284 HydrophobicContact CB-CG2 3.61Å; T280-V284 WeakPolarHBondContact O-CG2 3.12Å; T280-V284 PolarHBondContact O-N 3.45Å; E281-V284 PolarHBondContact O-N 2.83Å; V284-C286 PolarHBondContact O-N 3.29Å; V284-L287 PolarHBondContact O-N 3.5Å; V284-R288 HydrophobicContact CG1-CG 4.45Å; V284-R288 WeakPolarHBondContact O-CB 3.43Å; V284-R288 WeakPolarHBondContact O-CG 3.31Å; V284-R288 PolarHBondContact O-N 3.35Å
285	R	96.1	Very high	95.8	Very high	112 Å²	112	56.3 Å²	56.3	42%	0.423	31%	0.311	S	S	.	.	H	α-helix	trans	-59.6	-46.3	174.8	-175.8	-175.6	-66.2	103.5	-0	111.5	E281 E282 L283 R288 G289	E281-R285 WeakPolarHBondContact O-CB 3.33Å; E281-R285 PolarHBondContact O-N 3.23Å; E281-R285 IonicContact OE1-CZ 3.62Å; E281-R285 IonicContact OE1-NH2 2.7Å; E281-R285 PolarHBondContact OE1-NH2 2.86Å; E282-R285 PolarHBondContact O-N 2.86Å; E282-R285 IonicContact OE1-CZ 2.79Å; E282-R285 IonicContact OE1-NH1 2.8Å; E282-R285 PolarHBondContact OE1-NH1 2.84Å; E282-R285 IonicContact OE2-CZ 3.92Å; E282-R285 IonicContact OE2-NH1 3.41Å; E282-R285 PolarHBondContact OE2-NH1 3.36Å; L283-R285 VanDerWaalsContact C-N 3.34Å; L283-R285 PolarHBondContact O-N 2.89Å; R285-R288 PolarHBondContact O-N 3.47Å; R285-G289 PolarHBondContact O-N 3.03Å; R285-G289 VanDerWaalsContact O-N 3.16Å
286	C	96.8	Very high	95.7	Very high	43 Å²	43	57 Å²	57	29%	0.291	31%	0.313	S	S	.	.	H	α-helix	trans	-59.7	-47.9	176.8	177	0	0	0	0	111.5	C275 E282 L283 V284 R288 G289 K290	C275-C286 WeakPolarHBondContact CA-SG 3.41Å; C275-C286 HydrophobicContact CB-CB 3.69Å; C275-C286 WeakPolarHBondContact CB-SG 3.33Å; C275-C286 WeakPolarHBondContact SG-CB 3.46Å; C275-C286 CovalentContact SG-SG 2.04Å; C275-C286 PolarHBondContact SG-SG 3.32Å; E282-C286 VanDerWaalsContact O-CB 3.31Å; E282-C286 WeakPolarHBondContact O-CB 3.27Å; E282-C286 PolarHBondContact O-N 2.83Å; L283-C286 WeakPolarHBondContact O-CB 3.2Å; L283-C286 PolarHBondContact O-N 3.28Å; V284-C286 PolarHBondContact O-N 3.29Å; C286-R288 VanDerWaalsContact C-N 3.35Å; C286-R288 PolarHBondContact O-N 2.78Å; C286-G289 WeakPolarHBondContact O-CA 3.45Å; C286-G289 PolarHBondContact O-N 3.32Å; C286-K290 PolarHBondContact O-N 3.17Å
287	L	95.9	Very high	95.7	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-64.7	-36.8	179.5	-67.1	172	0	0	0	112.5	R68 M69 L180 V269 T273 L283 V284 G289 K290 F295	R68-L287 PolarHBondContact NH1-O 3.1Å; M69-L287 HydrophobicContact CE-CB 4.02Å; M69-L287 HydrophobicContact CE-CD1 4.47Å; M69-L287 HydrophobicContact SD-CB 4.43Å; L180-L287 HydrophobicContact CD1-CD1 4.32Å; L180-L287 HydrophobicContact CD2-CD1 3.33Å; L180-L287 HydrophobicContact CG-CD1 4.46Å; V269-L287 HydrophobicContact CG1-CD1 4.4Å; V269-L287 HydrophobicContact CG1-CD2 4.18Å; T273-L287 HydrophobicContact CG2-CD2 3.76Å; T273-L287 WeakPolarHBondContact OG1-CD2 3.25Å; L283-L287 HydrophobicContact CD1-CD1 3.78Å; L283-L287 HydrophobicContact CD1-CG 4.06Å; L283-L287 HydrophobicContact CG-CD1 4.05Å; L283-L287 WeakPolarHBondContact O-CG 3.24Å; L283-L287 PolarHBondContact O-N 2.9Å; V284-L287 PolarHBondContact O-N 3.5Å; L287-G289 PolarHBondContact O-N 3.34Å; L287-K290 WeakPolarHBondContact O-CB 3.37Å; L287-K290 PolarHBondContact O-N 2.86Å; L287-K290 VanDerWaalsContact O-N 3.14Å; L287-F295 HydrophobicContact CD2-CE1 4.39Å; L287-F295 WeakPolarHBondContact O-CZ 3.2Å
288	R	95.4	Very high	95.6	Very high	95 Å²	95	52.6 Å²	52.6	36%	0.358	29%	0.291	S	S	.	.	H	α-helix	trans	-64.8	-23	171.7	-75.4	-176.3	176.1	137.9	4.3	113.3	R68 M69 V284 R285 C286	R68-R288 HydrophobicContact CB-CG 4.46Å; R68-R288 PolarHBondContact NH1-O 2.87Å; R68-R288 PolarHBondContact O-NE 2.93Å; R68-R288 PolarHBondContact O-NH2 2.7Å; M69-R288 PolarHBondContact O-NH2 3.25Å; M69-R288 VanDerWaalsContact O-NH2 3.1Å; V284-R288 HydrophobicContact CG1-CG 4.45Å; V284-R288 WeakPolarHBondContact O-CB 3.43Å; V284-R288 WeakPolarHBondContact O-CG 3.31Å; V284-R288 PolarHBondContact O-N 3.35Å; R285-R288 PolarHBondContact O-N 3.47Å; C286-R288 VanDerWaalsContact C-N 3.35Å; C286-R288 PolarHBondContact O-N 2.78Å
289	G	95.7	Very high	95.4	Very high	66 Å²	66	50.1 Å²	50.1	68%	0.68	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82	-9.8	173.9	0	0	0	0	0	115	R285 C286 L287	R285-G289 PolarHBondContact O-N 3.03Å; R285-G289 VanDerWaalsContact O-N 3.16Å; C286-G289 WeakPolarHBondContact O-CA 3.45Å; C286-G289 PolarHBondContact O-N 3.32Å; L287-G289 PolarHBondContact O-N 3.34Å
290	K	96.5	Very high	95	Very high	36 Å²	36	53.1 Å²	53.1	16%	0.157	28%	0.284	C	S	.	.	S	Bend	trans	-73.1	153.2	-178.7	-64.8	-68.3	-179.3	176.6	0	112.6	R68 T273 C286 L287 E294 F295	R68-K290 PolarHBondContact NH1-O 2.73Å; R68-K290 PolarHBondContact NH2-O 3.44Å; T273-K290 WeakPolarHBondContact O-CE 3.23Å; T273-K290 PolarHBondContact O-NZ 2.78Å; C286-K290 PolarHBondContact O-N 3.17Å; L287-K290 WeakPolarHBondContact O-CB 3.37Å; L287-K290 PolarHBondContact O-N 2.86Å; L287-K290 VanDerWaalsContact O-N 3.14Å; K290-E294 VanDerWaalsContact CA-OE2 3.31Å; K290-E294 WeakPolarHBondContact CA-OE2 3.43Å; K290-E294 HydrophobicContact CB-CB 4.4Å; K290-E294 HydrophobicContact CD-CB 4.35Å; K290-E294 HydrophobicContact CD-CG 4.46Å; K290-E294 WeakPolarHBondContact CD-OE1 3.47Å; K290-E294 WeakPolarHBondContact CD-OE2 3.41Å; K290-E294 IonicContact NZ-OE1 3.82Å; K290-E294 PolarHBondContact NZ-OE1 3.31Å; K290-F295 HydrophobicContact CB-CE1 4.29Å; K290-F295 HydrophobicContact CB-CE2 3.92Å; K290-F295 HydrophobicContact CB-CZ 3.75Å; K290-F295 HydrophobicContact CG-CZ 4.44Å
291	T	96.3	Very high	94.3	Very high	72 Å²	72	58.1 Å²	58.1	44%	0.442	31%	0.306	S	S	.	.			trans	-82.9	162.7	172.7	72.1	0	0	0	0	111.4	D293 E294 F295	T291-D293 VanDerWaalsContact C-N 3.26Å; T291-D293 PolarHBondContact O-N 2.84Å; T291-D293 PolarHBondContact OG1-N 3.09Å; T291-E294 PolarHBondContact N-OE2 2.62Å; T291-E294 PolarHBondContact O-N 3.29Å; T291-E294 WeakPolarHBondContact OG1-CG 3.19Å; T291-E294 PolarHBondContact OG1-N 2.94Å; T291-F295 VanDerWaalsContact O-CD2 3.26Å; T291-F295 WeakPolarHBondContact O-CD2 3.45Å; T291-F295 PolarHBondContact O-N 2.96Å
292	Q	94.3	Very high	93.3	Very high	44 Å²	44	55.6 Å²	55.6	21%	0.206	30%	0.298	C	S	.	.	H	α-helix	trans	-55.3	-43.5	170.7	178.1	173.1	-61.9	0	0	111.7	V92 V114 E294 F295 I296	V92-Q292 HydrophobicContact CB-CG 4.25Å; V92-Q292 HydrophobicContact CG1-CG 3.64Å; V92-Q292 HydrophobicContact CG2-CG 3.62Å; V114-Q292 PolarHBondContact O-NE2 3.31Å; Q292-E294 VanDerWaalsContact C-N 3.31Å; Q292-E294 PolarHBondContact O-N 3.04Å; Q292-F295 WeakPolarHBondContact O-CB 3.3Å; Q292-F295 PolarHBondContact O-N 2.71Å; Q292-F295 VanDerWaalsContact O-N 3.09Å; Q292-I296 HydrophobicContact CG-CD1 3.95Å; Q292-I296 HydrophobicContact CG-CG1 4.46Å; Q292-I296 WeakPolarHBondContact O-CG1 3.23Å; Q292-I296 PolarHBondContact O-N 2.86Å
293	D	95.2	Very high	92.2	Very high	117 Å²	117	58.1 Å²	58.1	63%	0.626	31%	0.307	S	S	*	.	H	α-helix	trans	-64.2	-33.9	-178.6	-66.5	-20.5	0	0	0	112.8	T291 F295 I296 S297	T291-D293 VanDerWaalsContact C-N 3.26Å; T291-D293 PolarHBondContact O-N 2.84Å; T291-D293 PolarHBondContact OG1-N 3.09Å; D293-F295 VanDerWaalsContact C-N 3.33Å; D293-I296 PolarHBondContact O-N 2.8Å; D293-S297 WeakPolarHBondContact O-CB 3.33Å; D293-S297 PolarHBondContact O-N 3.1Å
294	E	95.6	Very high	91.4	Very high	72 Å²	72	59.8 Å²	59.8	34%	0.336	32%	0.316	S	S	.	.	H	α-helix	trans	-63.7	-39.6	173.6	-73.5	178.1	102.1	0	0	111.2	K290 T291 Q292 S297 V298	K290-E294 VanDerWaalsContact CA-OE2 3.31Å; K290-E294 WeakPolarHBondContact CA-OE2 3.43Å; K290-E294 HydrophobicContact CB-CB 4.4Å; K290-E294 HydrophobicContact CD-CB 4.35Å; K290-E294 HydrophobicContact CD-CG 4.46Å; K290-E294 WeakPolarHBondContact CD-OE1 3.47Å; K290-E294 WeakPolarHBondContact CD-OE2 3.41Å; K290-E294 IonicContact NZ-OE1 3.82Å; K290-E294 PolarHBondContact NZ-OE1 3.31Å; T291-E294 PolarHBondContact N-OE2 2.62Å; T291-E294 PolarHBondContact O-N 3.29Å; T291-E294 WeakPolarHBondContact OG1-CG 3.19Å; T291-E294 PolarHBondContact OG1-N 2.94Å; Q292-E294 VanDerWaalsContact C-N 3.31Å; Q292-E294 PolarHBondContact O-N 3.04Å; E294-S297 PolarHBondContact O-N 3.16Å; E294-V298 WeakPolarHBondContact O-CG2 3.41Å; E294-V298 PolarHBondContact O-N 3.22Å; E294-V298 VanDerWaalsContact O-N 3.08Å
295	F	94.8	Very high	90.9	Very high	9 Å²	9	61.6 Å²	61.6	4%	0.039	33%	0.325	C	S	.	.	H	α-helix	trans	-68	-40.6	174.7	-66.4	-57.8	0	0	0	112.7	M69 V92 I176 L177 L287 K290 T291 Q292 D293 S297 V298 A299	M69-F295 HydrophobicContact CE-CZ 4.4Å; V92-F295 HydrophobicContact CG1-CB 4.27Å; I176-F295 HydrophobicContact CB-CD1 4.14Å; I176-F295 HydrophobicContact CB-CE1 4.27Å; I176-F295 HydrophobicContact CD1-CD1 3.96Å; I176-F295 HydrophobicContact CD1-CE1 4.45Å; I176-F295 HydrophobicContact CG2-CD1 4.02Å; I176-F295 HydrophobicContact CG2-CE1 3.64Å; L177-F295 HydrophobicContact CD1-CD2 4.27Å; L177-F295 HydrophobicContact CD2-CD2 3.99Å; L177-F295 HydrophobicContact CD2-CE2 3.61Å; L177-F295 HydrophobicContact CD2-CZ 3.9Å; L177-F295 HydrophobicContact CG-CD2 4.24Å; L177-F295 HydrophobicContact CG-CE2 4.34Å; L287-F295 HydrophobicContact CD2-CE1 4.39Å; L287-F295 WeakPolarHBondContact O-CZ 3.2Å; K290-F295 HydrophobicContact CB-CE1 4.29Å; K290-F295 HydrophobicContact CB-CE2 3.92Å; K290-F295 HydrophobicContact CB-CZ 3.75Å; K290-F295 HydrophobicContact CG-CZ 4.44Å; T291-F295 VanDerWaalsContact O-CD2 3.26Å; T291-F295 WeakPolarHBondContact O-CD2 3.45Å; T291-F295 PolarHBondContact O-N 2.96Å; Q292-F295 WeakPolarHBondContact O-CB 3.3Å; Q292-F295 PolarHBondContact O-N 2.71Å; Q292-F295 VanDerWaalsContact O-N 3.09Å; D293-F295 VanDerWaalsContact C-N 3.33Å; F295-S297 VanDerWaalsContact C-N 3.31Å; F295-S297 PolarHBondContact O-N 3.45Å; F295-V298 PolarHBondContact O-N 2.86Å; F295-A299 PolarHBondContact O-N 3.02Å
296	I	94.2	Very high	90.7	Very high	23 Å²	23	56.9 Å²	56.9	12%	0.118	31%	0.308	C	S	.	.	H	α-helix	trans	-61.9	-42.2	175.2	-65	171.1	0	0	0	110.2	V92 V114 Q292 D293 V298 A299 K300	V92-I296 HydrophobicContact CG1-CD1 4.28Å; V92-I296 HydrophobicContact CG1-CG1 3.71Å; V114-I296 HydrophobicContact CG2-CD1 3.93Å; Q292-I296 HydrophobicContact CG-CD1 3.95Å; Q292-I296 HydrophobicContact CG-CG1 4.46Å; Q292-I296 WeakPolarHBondContact O-CG1 3.23Å; Q292-I296 PolarHBondContact O-N 2.86Å; D293-I296 PolarHBondContact O-N 2.8Å; I296-V298 VanDerWaalsContact C-N 3.34Å; I296-V298 PolarHBondContact O-N 2.78Å; I296-A299 PolarHBondContact O-N 2.98Å; I296-K300 HydrophobicContact CG2-CD 4.44Å; I296-K300 WeakPolarHBondContact O-CG 3.01Å; I296-K300 PolarHBondContact O-N 3.27Å
297	S	93.7	Very high	90.4	Very high	50 Å²	50	55.4 Å²	55.4	35%	0.35	30%	0.301	S	S	.	.	H	α-helix	trans	-59.8	-43.2	176.3	-173.8	0	0	0	0	111.9	D293 E294 F295 K300 Q301	D293-S297 WeakPolarHBondContact O-CB 3.33Å; D293-S297 PolarHBondContact O-N 3.1Å; E294-S297 PolarHBondContact O-N 3.16Å; F295-S297 VanDerWaalsContact C-N 3.31Å; F295-S297 PolarHBondContact O-N 3.45Å; S297-K300 PolarHBondContact O-N 3.27Å; S297-Q301 VanDerWaalsContact O-CG 3.28Å; S297-Q301 WeakPolarHBondContact O-CG 3.5Å; S297-Q301 PolarHBondContact O-N 3.46Å; S297-Q301 VanDerWaalsContact O-N 3.12Å; S297-Q301 PolarHBondContact OG-NE2 3.31Å
298	V	91.7	Very high	90.3	Very high	12 Å²	12	55.5 Å²	55.5	7%	0.073	30%	0.301	C	S	.	.	H	α-helix	trans	-64.6	-42.9	175.1	173.3	0	0	0	0	111.6	I176 L272 T273 E294 F295 I296 K300 Q301 S302	I176-V298 HydrophobicContact CD1-CB 4.33Å; I176-V298 HydrophobicContact CD1-CG1 3.79Å; L272-V298 HydrophobicContact CB-CG1 4.04Å; L272-V298 HydrophobicContact CB-CG2 4.23Å; L272-V298 HydrophobicContact CD1-CG1 4.01Å; T273-V298 HydrophobicContact CG2-CG2 3.91Å; E294-V298 WeakPolarHBondContact O-CG2 3.41Å; E294-V298 PolarHBondContact O-N 3.22Å; E294-V298 VanDerWaalsContact O-N 3.08Å; F295-V298 PolarHBondContact O-N 2.86Å; I296-V298 VanDerWaalsContact C-N 3.34Å; I296-V298 PolarHBondContact O-N 2.78Å; V298-K300 VanDerWaalsContact C-N 3.27Å; V298-K300 PolarHBondContact O-N 3.08Å; V298-Q301 PolarHBondContact O-N 3.12Å; V298-Q301 VanDerWaalsContact O-N 3.13Å; V298-S302 PolarHBondContact O-N 3.41Å
299	A	88.9	Confident	90.4	Very high	45 Å²	45	51.1 Å²	51.1	37%	0.372	29%	0.286	S	S	.	.	H	α-helix	trans	-60.8	-35.4	177.4	0	0	0	0	0	112.4	F295 I296	F295-A299 PolarHBondContact O-N 3.02Å; I296-A299 PolarHBondContact O-N 2.98Å
300	K	88.4	Confident	90.4	Very high	112 Å²	112	50 Å²	50	49%	0.487	27%	0.266	S	S	.	.	H	α-helix	trans	-67.6	-38.4	173.6	-75.8	-177.2	172.9	-157.8	0	113.1	D94 E96 I296 S297 V298	D94-K300 HydrophobicContact CB-CG 4.11Å; D94-K300 WeakPolarHBondContact OD1-CE 3.2Å; D94-K300 IonicContact OD1-NZ 3.72Å; D94-K300 WeakPolarHBondContact OD2-CG 3.5Å; E96-K300 IonicContact OE2-NZ 3.69Å; I296-K300 HydrophobicContact CG2-CD 4.44Å; I296-K300 WeakPolarHBondContact O-CG 3.01Å; I296-K300 PolarHBondContact O-N 3.27Å; S297-K300 PolarHBondContact O-N 3.27Å; V298-K300 VanDerWaalsContact C-N 3.27Å; V298-K300 PolarHBondContact O-N 3.08Å
301	Q	83.3	Confident	90.3	Very high	133 Å²	133	50.1 Å²	50.1	62%	0.621	27%	0.268	S	S	*	.	H	α-helix	trans	-82.4	-28.4	-174.6	-70.1	174.5	23.6	0	0	113.2	S297 V298	S297-Q301 VanDerWaalsContact O-CG 3.28Å; S297-Q301 WeakPolarHBondContact O-CG 3.5Å; S297-Q301 PolarHBondContact O-N 3.46Å; S297-Q301 VanDerWaalsContact O-N 3.12Å; S297-Q301 PolarHBondContact OG-NE2 3.31Å; V298-Q301 PolarHBondContact O-N 3.12Å; V298-Q301 VanDerWaalsContact O-N 3.13Å
302	S	76.1	Confident	90.1	Very high	35 Å²	35	49.3 Å²	49.3	25%	0.245	27%	0.274	C	S	.	.			trans	-138.3	131.2	-168.7	-160	0	0	0	0	113	V298 I304	V298-S302 PolarHBondContact O-N 3.41Å; S302-I304 PolarHBondContact O-N 2.93Å; S302-I304 VanDerWaalsContact OG-CD1 3.25Å; S302-I304 WeakPolarHBondContact OG-CD1 3.27Å; S302-I304 VanDerWaalsContact OG-CG1 3.29Å; S302-I304 WeakPolarHBondContact OG-CG1 3.5Å
303	K	73.2	Confident	90.1	Very high	139 Å²	139	52.7 Å²	52.7	60%	0.604	29%	0.289	S	S	*	.			trans	-90.2	37.6	179	-56.1	-173.4	-173.2	-173.1	0	112.1	I305 A349	K303-I305 PolarHBondContact O-N 2.81Å; K303-A349 WeakPolarHBondContact CD-O 3.17Å; K303-A349 PolarHBondContact NZ-O 3.42Å
304	I	81	Confident	90.1	Very high	38 Å²	38	47.1 Å²	47.1	20%	0.195	26%	0.26	C	S	.	.			trans	-71.3	119.5	180	-66.9	159.2	0	0	0	108.7	I268 L272 S302 L306	I268-I304 HydrophobicContact CB-CD1 4.29Å; I268-I304 HydrophobicContact CG2-CD1 3.37Å; I268-I304 HydrophobicContact CG2-CG1 4.37Å; L272-I304 HydrophobicContact CD1-CD1 3.38Å; S302-I304 PolarHBondContact O-N 2.93Å; S302-I304 VanDerWaalsContact OG-CD1 3.25Å; S302-I304 WeakPolarHBondContact OG-CD1 3.27Å; S302-I304 VanDerWaalsContact OG-CG1 3.29Å; S302-I304 WeakPolarHBondContact OG-CG1 3.5Å; I304-L306 HydrophobicContact CG2-CD2 3.62Å; I304-L306 HydrophobicContact CG2-CG 4.05Å
305	I	86.8	Confident	90.2	Very high	41 Å²	41	43.7 Å²	43.7	21%	0.21	24%	0.244	C	C	.	.			trans	-93.6	120.2	169.8	-64.4	169.8	0	0	0	107.4	Y257 K303 F350	Y257-I305 HydrophobicContact CD1-CG2 4.37Å; Y257-I305 HydrophobicContact CE1-CG2 3.8Å; Y257-I305 HydrophobicContact CE2-CG2 4.21Å; K303-I305 PolarHBondContact O-N 2.81Å; I305-F350 HydrophobicContact CD1-CZ 4.22Å
306	L	91.1	Very high	90.2	Very high	12 Å²	12	46.3 Å²	46.3	6%	0.063	26%	0.261	C	S	.	.			trans	-99.7	113.5	173.4	-61	179.1	0	0	0	107.8	I176 F179 L180 Q265 V269 I304	I176-L306 HydrophobicContact CG1-CD1 4.27Å; F179-L306 HydrophobicContact CB-CB 3.51Å; F179-L306 WeakPolarHBondContact CB-O 3.37Å; F179-L306 WeakPolarHBondContact CG-O 3.37Å; L180-L306 HydrophobicContact CB-CD1 4.45Å; Q265-L306 HydrophobicContact CB-CD2 3.56Å; Q265-L306 HydrophobicContact CG-CD2 4.16Å; V269-L306 HydrophobicContact CG2-CD1 4.4Å; I304-L306 HydrophobicContact CG2-CD2 3.62Å; I304-L306 HydrophobicContact CG2-CG 4.05Å
307	G	90.2	Very high	90.3	Very high	13 Å²	13	45.7 Å²	45.7	13%	0.134	26%	0.261	C	S	.	.			trans	-85.2	-173	178	0	0	0	0	0	113.7
308	A	95.1	Very high	90.4	Very high	1 Å²	1	44.8 Å²	44.8	1%	0.008	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	133	170.9	0	0	0	0	0	111.2	N190 L193 I231 Y257 T258 S259 L315	N190-A308 WeakPolarHBondContact OD1-CA 3.49Å; L193-A308 HydrophobicContact CD1-CB 3.53Å; I231-A308 HydrophobicContact CD1-CB 4.08Å; Y257-A308 WeakPolarHBondContact O-CB 3.26Å; Y257-A308 PolarHBondContact O-N 2.72Å; T258-A308 CarbonylContact C-O 3.51Å; T258-A308 VanDerWaalsContact CA-O 3.3Å; T258-A308 WeakPolarHBondContact CA-O 3.46Å; T258-A308 HydrophobicContact CG2-CB 4.36Å; S259-A308 PolarHBondContact N-O 2.03Å; A308-L315 HydrophobicContact CB-CD2 3.97Å
309	A	96.1	Very high	90.6	Very high	4 Å²	4	44.2 Å²	44.2	3%	0.033	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	140.7	170	0	0	0	0	0	110.1	S181 N190 S259 P262 D311	S181-A309 WeakPolarHBondContact OG-CB 3.48Å; N190-A309 PolarHBondContact ND2-O 2.93Å; N190-A309 PolarHBondContact OD1-N 2.77Å; S259-A309 WeakPolarHBondContact O-CA 3.43Å; P262-A309 HydrophobicContact CB-CB 4.26Å; P262-A309 HydrophobicContact CG-CB 4.24Å; A309-D311 PolarHBondContact O-N 3.34Å; A309-D311 VanDerWaalsContact O-N 3.09Å
310	V	95.7	Very high	90.8	Very high	43 Å²	43	44.3 Å²	44.3	26%	0.261	24%	0.244	S	C	.	.			trans	-73.5	97.1	166.2	178.6	0	0	0	0	107.9	S259 D260 L315 T318	S259-V310 PolarHBondContact O-N 3.47Å; D260-V310 HydrophobicContact CB-CB 4.44Å; D260-V310 HydrophobicContact CB-CG2 4.3Å; V310-L315 HydrophobicContact CG2-CD2 4.37Å; V310-T318 HydrophobicContact CG2-CG2 3.85Å
311	D	94.1	Very high	91.1	Very high	38 Å²	38	41.3 Å²	41.3	20%	0.203	24%	0.235	C	C	.	.			trans	-101.9	-4.8	-174.6	64.1	8.1	0	0	0	113.6	K188 N190 A309 E313 F314 L315	K188-D311 HydrophobicContact CB-CB 4.5Å; N190-D311 PolarHBondContact ND2-OD2 3.02Å; A309-D311 PolarHBondContact O-N 3.34Å; A309-D311 VanDerWaalsContact O-N 3.09Å; D311-E313 PolarHBondContact O-N 3.36Å; D311-E313 PolarHBondContact OD1-N 3.12Å; D311-F314 PolarHBondContact OD1-N 3.25Å; D311-F314 WeakPolarHBondContact OD2-CB 3.49Å; D311-L315 PolarHBondContact N-O 3.18Å; D311-L315 PolarHBondContact OD1-N 3.26Å
312	G	93.8	Very high	91.8	Very high	55 Å²	55	35.1 Å²	35.1	57%	0.567	21%	0.206	S	C	*	.	S	Bend	trans	77.6	-5.3	-179.8	0	0	0	0	0	114.8	L315	G312-L315 PolarHBondContact N-O 2.94Å
313	E	93.1	Very high	92.8	Very high	114 Å²	114	33.5 Å²	33.5	53%	0.533	20%	0.195	S	C	.	.	S	Bend	trans	-118.9	-64.5	-177.9	-73.3	176.1	-158.7	0	0	111.2	K188 D311	K188-E313 VanDerWaalsContact NZ-CD 3.31Å; K188-E313 IonicContact NZ-OE1 3.37Å; K188-E313 PolarHBondContact NZ-OE1 3.36Å; K188-E313 IonicContact NZ-OE2 3.81Å; K188-E313 PolarHBondContact NZ-OE2 3.04Å; D311-E313 PolarHBondContact O-N 3.36Å; D311-E313 PolarHBondContact OD1-N 3.12Å
314	F	96.3	Very high	93.9	Very high	1 Å²	1	32.5 Å²	32.5	0%	0.004	19%	0.193	C	C	.	.	S	Bend	trans	-74.6	-45.2	174.3	172.4	-92.1	0	0	0	110.6	N190 L193 L194 I231 L232 S235 L237 D311	N190-F314 HydrophobicContact CB-CD1 4.21Å; L193-F314 HydrophobicContact CB-CE1 3.84Å; L193-F314 HydrophobicContact CB-CE2 4.02Å; L193-F314 HydrophobicContact CB-CZ 3.53Å; L193-F314 HydrophobicContact CD1-CD1 4.36Å; L193-F314 HydrophobicContact CD1-CE1 3.55Å; L193-F314 HydrophobicContact CD1-CZ 4.01Å; L193-F314 HydrophobicContact CG-CE1 4.23Å; L193-F314 HydrophobicContact CG-CZ 4.2Å; L194-F314 HydrophobicContact CD2-CB 4.34Å; L194-F314 HydrophobicContact CD2-CD2 3.96Å; L194-F314 HydrophobicContact CD2-CG 4.39Å; I231-F314 HydrophobicContact CG2-CE1 3.72Å; I231-F314 HydrophobicContact CG2-CZ 4.04Å; L232-F314 HydrophobicContact CD2-CE2 4.04Å; L232-F314 HydrophobicContact CD2-CZ 4.07Å; S235-F314 WeakPolarHBondContact CA-O 3.43Å; S235-F314 WeakPolarHBondContact CB-O 3.49Å; S235-F314 WeakPolarHBondContact OG-CD2 3.47Å; S235-F314 PolarHBondContact OG-O 3.39Å; L237-F314 HydrophobicContact CD1-CB 4.14Å; L237-F314 HydrophobicContact CD1-CD2 4.38Å; D311-F314 PolarHBondContact OD1-N 3.25Å; D311-F314 WeakPolarHBondContact OD2-CB 3.49Å
315	L	96.3	Very high	94.6	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	21%	0.213	C	C	.	.			trans	-127.8	105.8	179.5	-169.9	66.6	0	0	0	110	I231 L234 T258 A308 V310 D311 G312 G317 L322	I231-L315 HydrophobicContact CG2-CD1 4.43Å; L234-L315 HydrophobicContact CB-CD1 4.17Å; T258-L315 HydrophobicContact CG2-CD2 3.91Å; A308-L315 HydrophobicContact CB-CD2 3.97Å; V310-L315 HydrophobicContact CG2-CD2 4.37Å; D311-L315 PolarHBondContact N-O 3.18Å; D311-L315 PolarHBondContact OD1-N 3.26Å; G312-L315 PolarHBondContact N-O 2.94Å; L315-G317 VanDerWaalsContact C-N 3.3Å; L315-G317 VanDerWaalsContact CG-O 3.24Å; L315-G317 WeakPolarHBondContact CG-O 3.27Å; L315-G317 PolarHBondContact O-N 3.45Å; L315-L322 HydrophobicContact CD1-CD1 3.77Å
316	P	96.1	Very high	95.1	Very high	63 Å²	63	42.3 Å²	42.3	41%	0.409	23%	0.227	S	C	.	.	S	Bend	trans	-77.6	-11.2	-174.1	28.3	-33.5	0	0	0	114.5	L322	P316-L322 HydrophobicContact CG-CD1 4.11Å; P316-L322 HydrophobicContact CG-CD2 4.01Å
317	G	95.5	Very high	95.4	Very high	11 Å²	11	46.1 Å²	46.1	11%	0.113	25%	0.245	C	C	.	.	S	Bend	trans	-168.1	169.5	179.5	0	0	0	0	0	111.6	L315 L322	L315-G317 VanDerWaalsContact C-N 3.3Å; L315-G317 VanDerWaalsContact CG-O 3.24Å; L315-G317 WeakPolarHBondContact CG-O 3.27Å; L315-G317 PolarHBondContact O-N 3.45Å; G317-L322 WeakPolarHBondContact O-CD1 2.98Å
318	T	95	Very high	95.8	Very high	30 Å²	30	46.6 Å²	46.6	18%	0.184	25%	0.245	C	C	.	.			trans	-64.2	152.3	175.1	56.2	0	0	0	0	111.1	D260 V310 D320 V321 L322	D260-T318 HydrophobicContact CB-CG2 4.33Å; V310-T318 HydrophobicContact CG2-CG2 3.85Å; T318-D320 VanDerWaalsContact C-N 3.3Å; T318-D320 PolarHBondContact O-N 3.09Å; T318-V321 PolarHBondContact O-N 2.86Å; T318-V321 WeakPolarHBondContact OG1-CG2 3.47Å; T318-L322 PolarHBondContact O-N 3.18Å; T318-L322 VanDerWaalsContact O-N 3.12Å
319	A	95.8	Very high	95.9	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-57.3	-42.2	-172.7	0	0	0	0	0	113.4	L234 A252 T253 T258 V321 L322 L323	L234-A319 HydrophobicContact CD1-CB 3.63Å; A252-A319 VanDerWaalsContact C-CB 3.48Å; A252-A319 HydrophobicContact CB-CB 3.6Å; A252-A319 WeakPolarHBondContact O-CB 3.3Å; T253-A319 HydrophobicContact CG2-CB 4.29Å; T258-A319 HydrophobicContact CG2-CB 3.96Å; T258-A319 PolarHBondContact OG1-N 2.83Å; A319-V321 VanDerWaalsContact C-N 3.3Å; A319-V321 PolarHBondContact O-N 3.06Å; A319-L322 PolarHBondContact O-N 3.4Å; A319-L323 WeakPolarHBondContact O-CB 3.24Å; A319-L323 WeakPolarHBondContact O-CG 3.45Å; A319-L323 PolarHBondContact O-N 3.43Å
320	D	93.8	Very high	95.9	Very high	47 Å²	47	52.6 Å²	52.6	25%	0.251	28%	0.277	S	S	.	.	H	α-helix	trans	-56.3	-44	176.5	-72.1	-62.5	0	0	0	112.2	T253 T318 Q324	T253-D320 WeakPolarHBondContact CG2-OD1 3.39Å; T318-D320 VanDerWaalsContact C-N 3.3Å; T318-D320 PolarHBondContact O-N 3.09Å; D320-Q324 VanDerWaalsContact O-CB 3.31Å; D320-Q324 WeakPolarHBondContact O-CB 3.2Å; D320-Q324 WeakPolarHBondContact O-CG 3.22Å; D320-Q324 PolarHBondContact O-N 3.13Å
321	V	95.3	Very high	96	Very high	49 Å²	49	51.4 Å²	51.4	30%	0.297	27%	0.269	S	S	.	.	H	α-helix	trans	-67.9	-46.6	-178	172.6	0	0	0	0	110.6	T318 A319 Q324 R325	T318-V321 PolarHBondContact O-N 2.86Å; T318-V321 WeakPolarHBondContact OG1-CG2 3.47Å; A319-V321 VanDerWaalsContact C-N 3.3Å; A319-V321 PolarHBondContact O-N 3.06Å; V321-Q324 PolarHBondContact O-N 3.34Å; V321-R325 WeakPolarHBondContact O-CB 3.39Å; V321-R325 VanDerWaalsContact O-CG 3.3Å; V321-R325 WeakPolarHBondContact O-CG 3.46Å; V321-R325 PolarHBondContact O-N 2.81Å; V321-R325 VanDerWaalsContact O-N 3.08Å
322	L	97.1	Very high	96.3	Very high	3 Å²	3	51 Å²	51	2%	0.016	27%	0.269	C	S	.	.	H	α-helix	trans	-64.5	-45	-178.8	-61.9	179.7	0	0	0	111.3	L234 L315 P316 G317 T318 A319 R325 K326 E327	L234-L322 HydrophobicContact CB-CD1 3.92Å; L234-L322 HydrophobicContact CD2-CB 4.31Å; L315-L322 HydrophobicContact CD1-CD1 3.77Å; P316-L322 HydrophobicContact CG-CD1 4.11Å; P316-L322 HydrophobicContact CG-CD2 4.01Å; G317-L322 WeakPolarHBondContact O-CD1 2.98Å; T318-L322 PolarHBondContact O-N 3.18Å; T318-L322 VanDerWaalsContact O-N 3.12Å; A319-L322 PolarHBondContact O-N 3.4Å; L322-R325 CarbonylContact O-C 3.59Å; L322-R325 PolarHBondContact O-N 2.96Å; L322-K326 PolarHBondContact O-N 3.47Å; L322-E327 HydrophobicContact CB-CB 4.36Å; L322-E327 HydrophobicContact CD2-CB 4.22Å; L322-E327 WeakPolarHBondContact CD2-OE2 3.44Å; L322-E327 PolarHBondContact O-N 3.06Å
323	L	97	Very high	96.5	Very high	1 Å²	1	48.4 Å²	48.4	1%	0.005	24%	0.242	C	C	.	.	H	α-helix	trans	-64.9	-42.1	178.4	-75	166.4	0	0	0	112.5	L234 T253 A319 R325 K326 V328 V418 Y421	L234-L323 HydrophobicContact CD1-CG 4.44Å; L234-L323 HydrophobicContact CD2-CD2 3.79Å; L234-L323 HydrophobicContact CD2-CG 3.85Å; T253-L323 HydrophobicContact CG2-CD1 3.5Å; T253-L323 VanDerWaalsContact CG2-CD1 3.5Å; A319-L323 WeakPolarHBondContact O-CB 3.24Å; A319-L323 WeakPolarHBondContact O-CG 3.45Å; A319-L323 PolarHBondContact O-N 3.43Å; L323-R325 VanDerWaalsContact C-N 3.28Å; L323-R325 PolarHBondContact O-N 2.9Å; L323-K326 PolarHBondContact O-N 3.49Å; L323-V328 HydrophobicContact CD2-CB 4.42Å; L323-V328 HydrophobicContact CD2-CG2 4.36Å; L323-V418 HydrophobicContact CD1-CG2 4.05Å; L323-Y421 HydrophobicContact CB-CD1 4.46Å; L323-Y421 HydrophobicContact CB-CD2 3.67Å; L323-Y421 HydrophobicContact CB-CE2 4.2Å; L323-Y421 HydrophobicContact CB-CG 3.8Å; L323-Y421 HydrophobicContact CD1-CD2 4.02Å; L323-Y421 HydrophobicContact CG-CD2 4.34Å
324	Q	96.1	Very high	96.8	Very high	119 Å²	119	43 Å²	43	56%	0.556	22%	0.217	S	C	*	.	H	α-helix	trans	-62.6	-35.3	175.3	-76.8	173.1	1.5	0	0	112.7	D320 V321 K326 Y421	D320-Q324 VanDerWaalsContact O-CB 3.31Å; D320-Q324 WeakPolarHBondContact O-CB 3.2Å; D320-Q324 WeakPolarHBondContact O-CG 3.22Å; D320-Q324 PolarHBondContact O-N 3.13Å; V321-Q324 PolarHBondContact O-N 3.34Å; Q324-K326 PolarHBondContact O-N 2.88Å; Q324-Y421 HydrophobicContact CG-CE1 3.73Å; Q324-Y421 WeakPolarHBondContact CG-OH 3.36Å; Q324-Y421 PolarHBondContact NE2-OH 3.1Å
325	R	97.3	Very high	96.9	Very high	166 Å²	166	43 Å²	43	63%	0.626	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.7	-3.9	175.5	-67.7	179.8	-175.6	-178.7	2.5	113.5	V321 L322 L323 E327	V321-R325 WeakPolarHBondContact O-CB 3.39Å; V321-R325 VanDerWaalsContact O-CG 3.3Å; V321-R325 WeakPolarHBondContact O-CG 3.46Å; V321-R325 PolarHBondContact O-N 2.81Å; V321-R325 VanDerWaalsContact O-N 3.08Å; L322-R325 CarbonylContact O-C 3.59Å; L322-R325 PolarHBondContact O-N 2.96Å; L323-R325 VanDerWaalsContact C-N 3.28Å; L323-R325 PolarHBondContact O-N 2.9Å; R325-E327 HydrophobicContact CB-CG 3.9Å; R325-E327 WeakPolarHBondContact CB-OE1 3.01Å; R325-E327 WeakPolarHBondContact CD-OE1 3.3Å; R325-E327 IonicContact NH1-OE1 2.7Å; R325-E327 PolarHBondContact O-N 3.25Å
326	K	97.4	Very high	97	Very high	118 Å²	118	43 Å²	43	51%	0.513	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.5	27.4	-174.3	-48.1	178.7	-179.8	-163.9	0	112.5	L322 L323 Q324 V328 D424 A425	L322-K326 PolarHBondContact O-N 3.47Å; L323-K326 PolarHBondContact O-N 3.49Å; Q324-K326 PolarHBondContact O-N 2.88Å; K326-V328 PolarHBondContact O-N 3.09Å; K326-D424 WeakPolarHBondContact CD-O 3.45Å; K326-D424 VanDerWaalsContact CE-O 3.32Å; K326-D424 WeakPolarHBondContact CE-O 3.48Å; K326-D424 PolarHBondContact NZ-O 3.38Å; K326-A425 HydrophobicContact CB-CB 4.15Å; K326-A425 HydrophobicContact CG-CB 4.49Å
327	E	97.1	Very high	97.1	Very high	93 Å²	93	40 Å²	40	44%	0.435	20%	0.198	S	C	.	.			trans	-83.1	69.1	173.2	-67.4	176.5	-145.3	0	0	109	L322 R325	L322-E327 HydrophobicContact CB-CB 4.36Å; L322-E327 HydrophobicContact CD2-CB 4.22Å; L322-E327 WeakPolarHBondContact CD2-OE2 3.44Å; L322-E327 PolarHBondContact O-N 3.06Å; R325-E327 HydrophobicContact CB-CG 3.9Å; R325-E327 WeakPolarHBondContact CB-OE1 3.01Å; R325-E327 WeakPolarHBondContact CD-OE1 3.3Å; R325-E327 IonicContact NH1-OE1 2.7Å; R325-E327 PolarHBondContact O-N 3.25Å
328	V	97.1	Very high	97.3	Very high	23 Å²	23	39.7 Å²	39.7	14%	0.139	19%	0.193	C	C	.	.	S	Bend	trans	-138.1	146	-176.4	60.9	0	0	0	0	110.2	L234 L323 K326 N330 H422 A425	L234-V328 HydrophobicContact CD2-CB 3.92Å; L234-V328 HydrophobicContact CD2-CG2 3.81Å; L323-V328 HydrophobicContact CD2-CB 4.42Å; L323-V328 HydrophobicContact CD2-CG2 4.36Å; K326-V328 PolarHBondContact O-N 3.09Å; V328-N330 PolarHBondContact O-N 3Å; V328-H422 VanDerWaalsContact CG2-CE1 3.5Å; V328-H422 WeakPolarHBondContact CG2-CE1 3.15Å; V328-A425 HydrophobicContact CG1-CB 3.55Å
329	L	97.8	Very high	97.4	Very high	34 Å²	34	39.7 Å²	39.7	18%	0.178	19%	0.192	C	C	.	.			trans	-65	116.8	172.3	-64	-178.7	0	0	0	109.5	T233 K239 F242 V331	T233-L329 WeakPolarHBondContact O-CB 3.31Å; T233-L329 WeakPolarHBondContact O-CG 3.15Å; T233-L329 PolarHBondContact O-N 3.32Å; K239-L329 HydrophobicContact CB-CD2 4.1Å; K239-L329 HydrophobicContact CG-CD2 4.25Å; F242-L329 HydrophobicContact CE1-CD1 4.27Å; F242-L329 HydrophobicContact CZ-CD1 3.89Å; L329-V331 PolarHBondContact O-N 3.36Å
330	N	96.3	Very high	97.5	Very high	97 Å²	97	40 Å²	40	52%	0.519	19%	0.194	S	C	.	.			trans	-80.7	88.1	-178.1	-170.2	3.1	0	0	0	110.9	V328 A427	V328-N330 PolarHBondContact O-N 3Å; N330-A427 WeakPolarHBondContact OD1-CA 3.23Å; N330-A427 VanDerWaalsContact OD1-CB 3.31Å; N330-A427 WeakPolarHBondContact OD1-CB 3.41Å; N330-A427 PolarHBondContact OD1-N 3.06Å
331	V	98.6	Very high	97.7	Very high	18 Å²	18	38.1 Å²	38.1	11%	0.109	18%	0.183	C	C	.	.			trans	-124.9	157.1	174.2	-65	0	0	0	0	110	F242 H243 A245 L329 V333 A427	F242-V331 HydrophobicContact CD2-CG2 4.4Å; F242-V331 HydrophobicContact CE2-CG2 3.93Å; H243-V331 WeakPolarHBondContact O-CB 3.42Å; A245-V331 HydrophobicContact CB-CG2 4.43Å; L329-V331 PolarHBondContact O-N 3.36Å; V331-V333 HydrophobicContact CG2-CG2 4.43Å; V331-V333 WeakPolarHBondContact O-CG2 3.44Å; V331-V333 PolarHBondContact O-N 3.03Å; V331-A427 WeakPolarHBondContact O-CB 3.37Å
332	P	98.9	Very high	97.8	Very high	30 Å²	30	35.8 Å²	35.8	20%	0.195	17%	0.169	C	C	.	.			trans	-57.6	136.8	169.6	-22.4	33.8	0	0	0	111.5	H243 K244 A245 P428 F494	H243-P332 VanDerWaalsContact O-CD 3.3Å; H243-P332 WeakPolarHBondContact O-CD 3.44Å; K244-P332 WeakPolarHBondContact CA-O 3.24Å; K244-P332 HydrophobicContact CG-CB 4.27Å; K244-P332 HydrophobicContact CG-CG 4.26Å; A245-P332 PolarHBondContact N-O 2.71Å; P332-P428 CarbonylContact C-O 3.52Å; P332-P428 WeakPolarHBondContact CA-O 3.39Å; P332-P428 HydrophobicContact CB-CB 4.24Å; P332-P428 HydrophobicContact CB-CG 4.4Å; P332-P428 HydrophobicContact CG-CG 4.23Å; P332-F494 HydrophobicContact CB-CE2 4.14Å; P332-F494 HydrophobicContact CB-CZ 4.13Å
333	V	98.8	Very high	97.7	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	133.2	-179.5	-172.9	0	0	0	0	110.8	A245 F247 V331 M335 P428 V429 Y430	A245-V333 HydrophobicContact CB-CG2 4.44Å; A245-V333 CarbonylContact O-C 3.49Å; A245-V333 VanDerWaalsContact O-CA 3.29Å; A245-V333 WeakPolarHBondContact O-CA 3.37Å; F247-V333 HydrophobicContact CD2-CG1 3.73Å; F247-V333 HydrophobicContact CE2-CG1 3.44Å; F247-V333 VanDerWaalsContact CE2-CG1 3.44Å; F247-V333 HydrophobicContact CG-CG1 4.4Å; F247-V333 HydrophobicContact CZ-CG1 3.89Å; V331-V333 HydrophobicContact CG2-CG2 4.43Å; V331-V333 WeakPolarHBondContact O-CG2 3.44Å; V331-V333 PolarHBondContact O-N 3.03Å; V333-M335 HydrophobicContact CB-CE 4.19Å; V333-M335 HydrophobicContact CG1-CE 3.37Å; V333-P428 PolarHBondContact N-O 3.44Å; V333-V429 CarbonylContact O-C 3.57Å; V333-V429 VanDerWaalsContact O-CA 3.31Å; V333-V429 WeakPolarHBondContact O-CA 3.26Å; V333-Y430 PolarHBondContact O-N 3.37Å
334	M	98.9	Very high	97.6	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	136.1	162.8	-172	-173.2	-44.6	0	0	108.6	A245 I246 F247 Y430 Y432 W491 F494 P500 W508	A245-M334 PolarHBondContact O-N 2.87Å; I246-M334 CarbonylContact C-O 3.58Å; I246-M334 VanDerWaalsContact CA-O 3.22Å; I246-M334 WeakPolarHBondContact CA-O 3.25Å; I246-M334 HydrophobicContact CG1-CB 4.3Å; I246-M334 HydrophobicContact CG2-CB 4.33Å; F247-M334 PolarHBondContact N-O 2.8Å; M334-Y430 CarbonylContact C-O 3.57Å; M334-Y430 WeakPolarHBondContact CA-O 3.31Å; M334-Y432 HydrophobicContact CG-CD1 4.44Å; M334-W491 HydrophobicContact SD-CD2 4.43Å; M334-W491 HydrophobicContact SD-CZ2 4.44Å; M334-F494 HydrophobicContact CB-CD1 4.45Å; M334-F494 HydrophobicContact CB-CD2 4.27Å; M334-F494 HydrophobicContact CB-CE1 4.18Å; M334-F494 HydrophobicContact CB-CE2 4Å; M334-F494 HydrophobicContact CB-CG 4.48Å; M334-F494 HydrophobicContact CB-CZ 3.94Å; M334-F494 HydrophobicContact CE-CB 3.28Å; M334-F494 HydrophobicContact CE-CD1 3.95Å; M334-F494 HydrophobicContact CE-CD2 3.57Å; M334-F494 HydrophobicContact CE-CE2 4.34Å; M334-F494 HydrophobicContact CE-CG 3.32Å; M334-P500 HydrophobicContact CE-CB 3.7Å; M334-P500 HydrophobicContact CE-CG 4.22Å; M334-W508 HydrophobicContact CG-CH2 4.44Å; M334-W508 HydrophobicContact CG-CZ2 4.29Å; M334-W508 HydrophobicContact SD-CH2 3.81Å; M334-W508 HydrophobicContact SD-CZ2 4.23Å; M334-W508 HydrophobicContact SD-CZ3 4.43Å
335	M	98.8	Very high	97.4	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	156.9	175.7	64.6	-174.5	74.9	0	0	111.8	F247 V333 T415 V418 A419 V429 Y430 M431 Y432	F247-M335 HydrophobicContact CB-CB 3.85Å; F247-M335 HydrophobicContact CD2-CB 4.16Å; F247-M335 HydrophobicContact CD2-CE 3.82Å; F247-M335 HydrophobicContact CE2-CE 4.03Å; F247-M335 HydrophobicContact CG-CB 4.43Å; F247-M335 WeakPolarHBondContact O-CA 3.3Å; V333-M335 HydrophobicContact CB-CE 4.19Å; V333-M335 HydrophobicContact CG1-CE 3.37Å; M335-T415 HydrophobicContact CB-CG2 4.21Å; M335-T415 HydrophobicContact CG-CG2 3.95Å; M335-T415 HydrophobicContact SD-CG2 4Å; M335-V418 HydrophobicContact CE-CG1 4.29Å; M335-V418 HydrophobicContact SD-CG1 4.41Å; M335-A419 HydrophobicContact CE-CB 4.43Å; M335-A419 HydrophobicContact CG-CB 4.42Å; M335-A419 WeakPolarHBondContact SD-CA 3.3Å; M335-A419 HydrophobicContact SD-CB 3.56Å; M335-A419 VanDerWaalsContact SD-CB 3.56Å; M335-A419 PolarHBondContact SD-N 3.41Å; M335-A419 VanDerWaalsContact SD-N 3.45Å; M335-V429 HydrophobicContact CE-CG1 4.24Å; M335-Y430 PolarHBondContact N-O 3.44Å; M335-M431 CarbonylContact O-C 3.51Å; M335-M431 WeakPolarHBondContact O-CA 3.12Å; M335-Y432 WeakPolarHBondContact O-CD1 3.39Å; M335-Y432 PolarHBondContact O-N 2.84Å
336	G	98.5	Very high	97.1	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-173	-179.5	177.3	0	0	0	0	0	112.9	F247 S249 Y432	F247-G336 PolarHBondContact O-N 2.88Å; F247-G336 VanDerWaalsContact O-N 3.09Å; S249-G336 PolarHBondContact N-O 2.79Å; G336-Y432 WeakPolarHBondContact CA-O 3.43Å
337	V	98.8	Very high	96.9	Very high	2 Å²	2	19.2 Å²	19.2	1%	0.012	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	162.4	-179	-67.9	0	0	0	0	109.7	E341 M411 A412 T415 Y432 E433 F434 L531	V337-E341 WeakPolarHBondContact CA-OE1 3.15Å; V337-E341 HydrophobicContact CB-CG 4.26Å; V337-E341 WeakPolarHBondContact CB-OE1 3.49Å; V337-M411 HydrophobicContact CG1-CB 4.07Å; V337-A412 HydrophobicContact CG2-CB 4.37Å; V337-T415 HydrophobicContact CG1-CG2 4.25Å; V337-Y432 PolarHBondContact N-O 3.14Å; V337-E433 CarbonylContact O-C 3.55Å; V337-E433 VanDerWaalsContact O-CA 3.29Å; V337-E433 WeakPolarHBondContact O-CA 3.49Å; V337-F434 PolarHBondContact O-N 3.43Å; V337-L531 HydrophobicContact CG2-CD2 3.93Å
338	T	98.8	Very high	96.5	Very high	4 Å²	4	20.2 Å²	20.2	3%	0.025	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	158.7	165.5	71.8	0	0	0	0	110	H340 E341 F434 A451 D452	T338-H340 PolarHBondContact O-N 3.1Å; T338-E341 PolarHBondContact N-OE1 3.24Å; T338-E341 WeakPolarHBondContact O-CG 3.44Å; T338-E341 VanDerWaalsContact OG1-CD 3.31Å; T338-E341 PolarHBondContact OG1-N 3.43Å; T338-F434 CarbonylContact C-O 3.44Å; T338-F434 WeakPolarHBondContact CA-O 2.97Å; T338-F434 HydrophobicContact CG2-CB 4.22Å; T338-F434 HydrophobicContact CG2-CD1 4.18Å; T338-A451 WeakPolarHBondContact CB-O 3.34Å; T338-A451 PolarHBondContact OG1-O 3.22Å; T338-D452 VanDerWaalsContact CG2-O 3.28Å; T338-D452 WeakPolarHBondContact CG2-O 3.44Å; T338-D452 PolarHBondContact OG1-O 3.04Å
339	N	98	Very high	95.8	Very high	29 Å²	29	20.8 Å²	20.8	16%	0.155	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78	-1.9	-178.6	69.8	-0.6	0	0	0	114.4	E433 F434 V435 K450 A451	N339-E433 HydrophobicContact CB-CG 4.19Å; N339-E433 WeakPolarHBondContact CB-OE1 3.44Å; N339-F434 PolarHBondContact N-O 3.16Å; N339-V435 HydrophobicContact CB-CG1 3.97Å; N339-V435 WeakPolarHBondContact ND2-CB 3.32Å; N339-K450 VanDerWaalsContact OD1-CB 3.32Å; N339-K450 WeakPolarHBondContact OD1-CB 3.44Å; N339-A451 WeakPolarHBondContact OD1-CB 3.26Å; N339-A451 PolarHBondContact OD1-N 2.56Å; N339-A451 PolarHBondContact OD1-O 2.82Å
340	H	97.9	Very high	95.3	Very high	8 Å²	8	21.7 Å²	21.7	4%	0.037	12%	0.116	C	C	.	.	B	Isolated β-bridge	trans	-147	51.7	178.7	-155.6	171.2	0	0	0	111.1	T338 F342 G343 T403 F448 K450 A451 D452	T338-H340 PolarHBondContact O-N 3.1Å; H340-F342 PolarHBondContact O-N 2.94Å; H340-G343 WeakPolarHBondContact CD2-CA 3.27Å; H340-G343 VanDerWaalsContact NE2-CA 3.29Å; H340-G343 WeakPolarHBondContact NE2-CA 3.45Å; H340-G343 WeakPolarHBondContact O-CA 3.49Å; H340-G343 PolarHBondContact O-N 3.16Å; H340-T403 VanDerWaalsContact NE2-CB 3.35Å; H340-T403 WeakPolarHBondContact NE2-CB 3.36Å; H340-T403 PolarHBondContact NE2-OG1 3.49Å; H340-F448 PolarHBondContact CE1-O 2.89Å; H340-K450 HydrophobicContact CB-CB 3.83Å; H340-K450 HydrophobicContact CB-CD 4.37Å; H340-K450 HydrophobicContact CB-CG 4.38Å; H340-K450 PolarHBondContact ND1-N 2.95Å; H340-A451 CarbonylContact C-O 3.55Å; H340-A451 WeakPolarHBondContact CA-O 3.24Å; H340-A451 VanDerWaalsContact CB-O 3.29Å; H340-A451 WeakPolarHBondContact CB-O 3.35Å; H340-A451 PolarHBondContact N-O 3.39Å; H340-D452 WeakPolarHBondContact O-CA 3.23Å; H340-D452 VanDerWaalsContact O-OD1 3.06Å
341	E	97.8	Very high	94.9	Very high	6 Å²	6	17.9 Å²	17.9	3%	0.028	10%	0.1	C	C	.	.	T	Hydrogen-bonded Turn	trans	-47.2	-33.1	-178.7	-69.9	-75.6	-171.5	0	0	115.3	S249 V337 T338 L346 M411 H453	S249-E341 WeakPolarHBondContact CB-OE1 3.2Å; S249-E341 WeakPolarHBondContact CB-OE2 3.46Å; S249-E341 PolarHBondContact OG-OE1 2.8Å; S249-E341 PolarHBondContact OG-OE2 2.95Å; V337-E341 WeakPolarHBondContact CA-OE1 3.15Å; V337-E341 HydrophobicContact CB-CG 4.26Å; V337-E341 WeakPolarHBondContact CB-OE1 3.49Å; T338-E341 PolarHBondContact N-OE1 3.24Å; T338-E341 WeakPolarHBondContact O-CG 3.44Å; T338-E341 VanDerWaalsContact OG1-CD 3.31Å; T338-E341 PolarHBondContact OG1-N 3.43Å; E341-L346 WeakPolarHBondContact O-CD1 3.34Å; E341-M411 HydrophobicContact CB-CB 4.1Å; E341-M411 HydrophobicContact CB-CG 3.91Å; E341-M411 HydrophobicContact CG-CB 3.65Å; E341-M411 HydrophobicContact CG-CG 3.87Å; E341-H453 WeakPolarHBondContact O-CB 3.19Å; E341-H453 IonicContact OE2-CE1 3.39Å; E341-H453 IonicContact OE2-CG 2.91Å; E341-H453 IonicContact OE2-ND1 2.81Å; E341-H453 PolarHBondContact OE2-ND1 3.27Å
342	F	96.9	Very high	94.5	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	11%	0.106	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112.8	33.5	179.3	-152.9	-100.7	0	0	0	111.1	H340 L346 P347 F350 F371 F402 T403 I406 L410	H340-F342 PolarHBondContact O-N 2.94Å; F342-L346 HydrophobicContact CD2-CB 3.41Å; F342-L346 VanDerWaalsContact CD2-CB 3.41Å; F342-L346 HydrophobicContact CD2-CD1 3.97Å; F342-L346 HydrophobicContact CD2-CG 4.35Å; F342-L346 HydrophobicContact CE2-CB 3.58Å; F342-L346 HydrophobicContact CG-CB 4.31Å; F342-P347 HydrophobicContact CD1-CB 4.47Å; F342-P347 HydrophobicContact CD1-CG 3.55Å; F342-P347 HydrophobicContact CE1-CB 4.15Å; F342-P347 HydrophobicContact CE1-CG 3.7Å; F342-P347 HydrophobicContact CG-CG 4.05Å; F342-P347 HydrophobicContact CZ-CG 4.32Å; F342-P347 WeakPolarHBondContact O-CD 3.5Å; F342-P347 WeakPolarHBondContact O-CG 3.15Å; F342-F350 HydrophobicContact CE2-CB 4.21Å; F342-F350 HydrophobicContact CE2-CD2 4.15Å; F342-F350 HydrophobicContact CZ-CB 3.79Å; F342-F371 HydrophobicContact CE2-CE2 4.45Å; F342-F371 HydrophobicContact CZ-CE2 4.35Å; F342-F402 HydrophobicContact CD1-CE1 4.42Å; F342-F402 HydrophobicContact CD1-CZ 4.31Å; F342-F402 AromaticContact CE1-CE1 3.93Å; F342-F402 HydrophobicContact CE1-CE1 3.93Å; F342-F402 AromaticContact CE1-CE2 3.9Å; F342-F402 HydrophobicContact CE1-CE2 3.9Å; F342-F402 AromaticContact CE1-CZ 3.49Å; F342-F402 HydrophobicContact CE1-CZ 3.49Å; F342-F402 VanDerWaalsContact CE1-CZ 3.49Å; F342-F402 HydrophobicContact CZ-CZ 4.38Å; F342-T403 WeakPolarHBondContact CB-O 3.4Å; F342-T403 WeakPolarHBondContact O-CB 3.18Å; F342-T403 WeakPolarHBondContact O-CG2 3.48Å; F342-I406 HydrophobicContact CB-CB 4.36Å; F342-I406 HydrophobicContact CB-CG2 4.42Å; F342-I406 HydrophobicContact CD1-CB 3.72Å; F342-I406 HydrophobicContact CD1-CG1 4.38Å; F342-I406 HydrophobicContact CD1-CG2 3.79Å; F342-I406 HydrophobicContact CD2-CB 4.25Å; F342-I406 HydrophobicContact CD2-CG2 3.5Å; F342-I406 HydrophobicContact CE1-CB 3.98Å; F342-I406 HydrophobicContact CE1-CG1 4.28Å; F342-I406 HydrophobicContact CE1-CG2 3.78Å; F342-I406 HydrophobicContact CE2-CB 4.47Å; F342-I406 HydrophobicContact CE2-CG2 3.48Å; F342-I406 VanDerWaalsContact CE2-CG2 3.48Å; F342-I406 HydrophobicContact CG-CB 3.86Å; F342-I406 HydrophobicContact CG-CG2 3.65Å; F342-I406 HydrophobicContact CZ-CB 4.33Å; F342-I406 HydrophobicContact CZ-CG2 3.61Å; F342-L410 HydrophobicContact CD2-CD1 4.09Å; F342-L410 HydrophobicContact CE2-CD1 4.08Å
343	G	95.9	Very high	94.1	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	14%	0.14	C	C	.	.	S	Bend	trans	-83.2	-35.3	-170.6	0	0	0	0	0	114.1	H340 W355 D452	H340-G343 WeakPolarHBondContact CD2-CA 3.27Å; H340-G343 VanDerWaalsContact NE2-CA 3.29Å; H340-G343 WeakPolarHBondContact NE2-CA 3.45Å; H340-G343 WeakPolarHBondContact O-CA 3.49Å; H340-G343 PolarHBondContact O-N 3.16Å; G343-W355 WeakPolarHBondContact O-CH2 3.17Å; G343-D452 WeakPolarHBondContact CA-OD1 2.96Å; G343-D452 PolarHBondContact N-OD1 3.48Å; G343-D452 VanDerWaalsContact N-OD1 3.08Å
344	W	93.8	Very high	93.8	Very high	11 Å²	11	25.5 Å²	25.5	4%	0.042	16%	0.155	C	C	.	.	S	Bend	trans	-148	-57.8	-178.5	177	55.3	0	0	0	114.6	A104 M105 P347 Q348 T442 N444 R445 V449 D452	A104-W344 HydrophobicContact CB-CH2 3.75Å; A104-W344 HydrophobicContact CB-CZ2 4.21Å; M105-W344 HydrophobicContact SD-CZ3 4.25Å; W344-P347 WeakPolarHBondContact O-CD 3.38Å; W344-Q348 WeakPolarHBondContact O-CG 3.15Å; W344-Q348 PolarHBondContact O-N 3.15Å; W344-Q348 PolarHBondContact O-NE2 3.38Å; W344-T442 HydrophobicContact CH2-CG2 3.63Å; W344-T442 HydrophobicContact CZ3-CG2 3.78Å; W344-N444 PolarHBondContact NE1-O 3.01Å; W344-N444 VanDerWaalsContact NE1-O 3.08Å; W344-R445 HydrophobicContact CD2-CB 4.1Å; W344-R445 HydrophobicContact CD2-CG 3.93Å; W344-R445 HydrophobicContact CE3-CB 4.24Å; W344-R445 HydrophobicContact CE3-CG 3.97Å; W344-R445 HydrophobicContact CG-CG 4.28Å; W344-R445 HydrophobicContact CH2-CB 4.08Å; W344-R445 HydrophobicContact CZ2-CB 3.95Å; W344-R445 HydrophobicContact CZ3-CB 4.23Å; W344-R445 HydrophobicContact CZ3-CG 4.35Å; W344-V449 HydrophobicContact CB-CB 4.46Å; W344-V449 HydrophobicContact CB-CG1 3.83Å; W344-V449 HydrophobicContact CB-CG2 3.76Å; W344-V449 HydrophobicContact CG-CG2 4.4Å; W344-D452 WeakPolarHBondContact CB-OD2 3.34Å; W344-D452 PolarHBondContact N-OD1 3.37Å
345	I	91.7	Very high	93.6	Very high	25 Å²	25	25.8 Å²	25.8	13%	0.128	16%	0.156	C	C	.	.	H	α-helix	trans	-73.3	-42.8	-167.9	-144.6	149.3	0	0	0	112.3	F101 M105 Q348 D452 H453	F101-I345 HydrophobicContact CD2-CD1 3.63Å; F101-I345 HydrophobicContact CD2-CG1 4.09Å; F101-I345 HydrophobicContact CE2-CD1 3.2Å; F101-I345 HydrophobicContact CE2-CG1 3.91Å; F101-I345 HydrophobicContact CZ-CD1 4.02Å; M105-I345 HydrophobicContact CG-CD1 4.27Å; M105-I345 HydrophobicContact SD-CD1 3.75Å; I345-Q348 WeakPolarHBondContact O-CB 3.24Å; I345-Q348 PolarHBondContact O-N 3.27Å; I345-D452 WeakPolarHBondContact CB-OD2 3.36Å; I345-D452 PolarHBondContact N-OD2 3Å; I345-H453 HydrophobicContact CG2-CB 3.75Å
346	L	92.4	Very high	93.4	Very high	24 Å²	24	28.6 Å²	28.6	13%	0.126	17%	0.169	C	C	.	.	H	α-helix	trans	-68.3	-42.5	177.6	-64.7	-173.4	0	0	0	112.7	E341 F342 Q348 A349 F350 M411 H453	E341-L346 WeakPolarHBondContact O-CD1 3.34Å; F342-L346 HydrophobicContact CD2-CB 3.41Å; F342-L346 VanDerWaalsContact CD2-CB 3.41Å; F342-L346 HydrophobicContact CD2-CD1 3.97Å; F342-L346 HydrophobicContact CD2-CG 4.35Å; F342-L346 HydrophobicContact CE2-CB 3.58Å; F342-L346 HydrophobicContact CG-CB 4.31Å; L346-Q348 PolarHBondContact O-N 2.93Å; L346-A349 PolarHBondContact O-N 3.4Å; L346-F350 VanDerWaalsContact O-CD2 3.32Å; L346-F350 WeakPolarHBondContact O-CD2 3.24Å; L346-F350 PolarHBondContact O-N 3.23Å; L346-F350 VanDerWaalsContact O-N 3.09Å; L346-M411 HydrophobicContact CD1-CE 4.05Å; L346-H453 HydrophobicContact CD1-CB 4.28Å; L346-H453 HydrophobicContact CG-CB 4.09Å
347	P	92.6	Very high	93.2	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-55.3	-28.3	170.3	-28.5	31	0	0	0	115.4	F342 W344 A349 F350 G351 W355	F342-P347 HydrophobicContact CD1-CB 4.47Å; F342-P347 HydrophobicContact CD1-CG 3.55Å; F342-P347 HydrophobicContact CE1-CB 4.15Å; F342-P347 HydrophobicContact CE1-CG 3.7Å; F342-P347 HydrophobicContact CG-CG 4.05Å; F342-P347 HydrophobicContact CZ-CG 4.32Å; F342-P347 WeakPolarHBondContact O-CD 3.5Å; F342-P347 WeakPolarHBondContact O-CG 3.15Å; W344-P347 WeakPolarHBondContact O-CD 3.38Å; P347-A349 PolarHBondContact O-N 3.3Å; P347-F350 PolarHBondContact O-N 2.7Å; P347-G351 VanDerWaalsContact O-CA 3.24Å; P347-G351 WeakPolarHBondContact O-CA 3.32Å; P347-G351 PolarHBondContact O-N 3.19Å; P347-W355 HydrophobicContact CB-CD2 3.74Å; P347-W355 HydrophobicContact CB-CE3 4.14Å; P347-W355 HydrophobicContact CB-CG 4.43Å; P347-W355 HydrophobicContact CB-CH2 3.81Å; P347-W355 HydrophobicContact CB-CZ2 3.34Å; P347-W355 HydrophobicContact CB-CZ3 4.17Å; P347-W355 HydrophobicContact CG-CH2 3.94Å; P347-W355 HydrophobicContact CG-CZ2 3.95Å; P347-W355 HydrophobicContact CG-CZ3 4.25Å
348	Q	87.9	Confident	93.1	Very high	113 Å²	113	37 Å²	37	53%	0.528	21%	0.211	S	C	.	.	H	α-helix	trans	-60.7	-31.1	174	-58.5	-50.9	-46.2	0	0	111.8	W344 I345 L346	W344-Q348 WeakPolarHBondContact O-CG 3.15Å; W344-Q348 PolarHBondContact O-N 3.15Å; W344-Q348 PolarHBondContact O-NE2 3.38Å; I345-Q348 WeakPolarHBondContact O-CB 3.24Å; I345-Q348 PolarHBondContact O-N 3.27Å; L346-Q348 PolarHBondContact O-N 2.93Å
349	A	83.6	Confident	93	Very high	36 Å²	36	37.4 Å²	37.4	30%	0.298	21%	0.213	S	C	.	.	H	α-helix	trans	-88	-34.5	178.3	0	0	0	0	0	112.9	K303 L346 P347	K303-A349 WeakPolarHBondContact CD-O 3.17Å; K303-A349 PolarHBondContact NZ-O 3.42Å; L346-A349 PolarHBondContact O-N 3.4Å; P347-A349 PolarHBondContact O-N 3.3Å
350	F	86.1	Confident	92.9	Very high	52 Å²	52	39.4 Å²	39.4	23%	0.228	22%	0.224	C	C	.	.	H	α-helix	trans	-122	-12.9	-166.7	-59.9	-69.8	0	0	0	114.6	I305 F342 L346 P347 M370 F371	I305-F350 HydrophobicContact CD1-CZ 4.22Å; F342-F350 HydrophobicContact CE2-CB 4.21Å; F342-F350 HydrophobicContact CE2-CD2 4.15Å; F342-F350 HydrophobicContact CZ-CB 3.79Å; L346-F350 VanDerWaalsContact O-CD2 3.32Å; L346-F350 WeakPolarHBondContact O-CD2 3.24Å; L346-F350 PolarHBondContact O-N 3.23Å; L346-F350 VanDerWaalsContact O-N 3.09Å; P347-F350 PolarHBondContact O-N 2.7Å; F350-M370 HydrophobicContact CB-CE 4.2Å; F350-M370 HydrophobicContact CD1-CE 3.86Å; F350-M370 HydrophobicContact CG-CE 4.39Å; F350-F371 HydrophobicContact CB-CE2 4.16Å; F350-F371 HydrophobicContact CB-CZ 3.85Å; F350-F371 HydrophobicContact CD1-CE1 4.41Å; F350-F371 AromaticContact CD1-CZ 3.79Å; F350-F371 HydrophobicContact CD1-CZ 3.79Å; F350-F371 HydrophobicContact CD2-CZ 4.06Å; F350-F371 HydrophobicContact CE1-CZ 4.34Å; F350-F371 HydrophobicContact CG-CE2 4.43Å; F350-F371 AromaticContact CG-CZ 3.64Å; F350-F371 HydrophobicContact CG-CZ 3.64Å
351	G	88.3	Confident	92.8	Very high	18 Å²	18	42.1 Å²	42.1	19%	0.186	23%	0.234	C	C	.	.	S	Bend	trans	-80.3	152.1	173.9	0	0	0	0	0	111.9	P347	P347-G351 VanDerWaalsContact O-CA 3.24Å; P347-G351 WeakPolarHBondContact O-CA 3.32Å; P347-G351 PolarHBondContact O-N 3.19Å
352	P	90.6	Very high	92.6	Very high	38 Å²	38	47.9 Å²	47.9	25%	0.247	26%	0.261	C	S	.	.	P	Polyproline II helix	trans	-67	157.4	171	32.8	-38.9	0	0	0	110.9	G354 W355 M359 T363	P352-G354 PolarHBondContact O-N 3.31Å; P352-W355 HydrophobicContact CG-CB 4.05Å; P352-W355 WeakPolarHBondContact O-CB 3.41Å; P352-W355 VanDerWaalsContact O-CD1 3.3Å; P352-W355 PolarHBondContact O-N 3.39Å; P352-M359 HydrophobicContact CG-CE 3.73Å; P352-M359 HydrophobicContact CG-SD 3.64Å; P352-T363 HydrophobicContact CB-CG2 4.22Å; P352-T363 HydrophobicContact CG-CG2 3.67Å
353	P	91.3	Very high	92.4	Very high	140 Å²	140	49.9 Å²	49.9	91%	0.909	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55	130.8	172.9	-25.1	34.5	0	0	0	112
354	G	91.9	Very high	92.4	Very high	30 Å²	30	49.9 Å²	49.9	31%	0.309	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	82	8.5	178.9	0	0	0	0	0	115.2	P352 E356 K357	P352-G354 PolarHBondContact O-N 3.31Å; G354-E356 WeakPolarHBondContact CA-OE2 3.37Å; G354-E356 PolarHBondContact O-N 3.16Å; G354-K357 WeakPolarHBondContact O-CB 3.4Å; G354-K357 PolarHBondContact O-N 3.45Å
355	W	94.1	Very high	92.4	Very high	5 Å²	5	50.4 Å²	50.4	2%	0.019	28%	0.276	C	S	.	.	G	3₁₀ helix	trans	-50.9	-31.6	179	70.3	-91.4	0	0	0	112.9	G343 P347 P352 K357 G358 M359 R399 F402 T403 F448	G343-W355 WeakPolarHBondContact O-CH2 3.17Å; P347-W355 HydrophobicContact CB-CD2 3.74Å; P347-W355 HydrophobicContact CB-CE3 4.14Å; P347-W355 HydrophobicContact CB-CG 4.43Å; P347-W355 HydrophobicContact CB-CH2 3.81Å; P347-W355 HydrophobicContact CB-CZ2 3.34Å; P347-W355 HydrophobicContact CB-CZ3 4.17Å; P347-W355 HydrophobicContact CG-CH2 3.94Å; P347-W355 HydrophobicContact CG-CZ2 3.95Å; P347-W355 HydrophobicContact CG-CZ3 4.25Å; P352-W355 HydrophobicContact CG-CB 4.05Å; P352-W355 WeakPolarHBondContact O-CB 3.41Å; P352-W355 VanDerWaalsContact O-CD1 3.3Å; P352-W355 PolarHBondContact O-N 3.39Å; W355-K357 PolarHBondContact O-N 2.88Å; W355-G358 PolarHBondContact O-N 2.88Å; W355-M359 HydrophobicContact CB-CG 4.44Å; W355-M359 HydrophobicContact CB-SD 3.71Å; W355-R399 HydrophobicContact CE3-CG 4.05Å; W355-R399 HydrophobicContact CZ3-CG 4.2Å; W355-R399 WeakPolarHBondContact O-CG 3.35Å; W355-F402 HydrophobicContact CB-CE1 4.36Å; W355-F402 HydrophobicContact CD2-CE1 4.43Å; W355-F402 HydrophobicContact CE3-CD1 4.36Å; W355-F402 HydrophobicContact CE3-CE1 4.11Å; W355-T403 HydrophobicContact CZ3-CG2 3.9Å; W355-F448 AromaticContact CH2-CE2 3.98Å; W355-F448 HydrophobicContact CH2-CE2 3.98Å; W355-F448 AromaticContact CH2-CZ 3.77Å; W355-F448 HydrophobicContact CH2-CZ 3.77Å; W355-F448 AromaticContact CZ3-CE2 3.9Å; W355-F448 HydrophobicContact CZ3-CE2 3.9Å; W355-F448 AromaticContact CZ3-CZ 3.71Å; W355-F448 HydrophobicContact CZ3-CZ 3.71Å
356	E	94.3	Very high	92.3	Very high	60 Å²	60	52 Å²	52	28%	0.28	29%	0.294	S	S	.	.	G	3₁₀ helix	trans	-65.4	-22.3	-178	73.1	-72.1	169.7	0	0	113.4	G354 R399 P446 F448	G354-E356 WeakPolarHBondContact CA-OE2 3.37Å; G354-E356 PolarHBondContact O-N 3.16Å; E356-R399 VanDerWaalsContact O-CD 3.28Å; E356-R399 WeakPolarHBondContact O-CD 3.49Å; E356-R399 PolarHBondContact O-NH1 3.25Å; E356-R399 VanDerWaalsContact O-NH1 3.08Å; E356-P446 HydrophobicContact CB-CG 4.4Å; E356-F448 HydrophobicContact CB-CE1 4.34Å; E356-F448 HydrophobicContact CB-CZ 4.21Å
357	K	94.6	Very high	92.3	Very high	158 Å²	158	51.6 Å²	51.6	69%	0.687	29%	0.292	S	S	*	.	G	3₁₀ helix	trans	-89.2	-8.6	-177.7	-59.6	178.8	-174.5	172.1	0	113.4	G354 W355	G354-K357 WeakPolarHBondContact O-CB 3.4Å; G354-K357 PolarHBondContact O-N 3.45Å; W355-K357 PolarHBondContact O-N 2.88Å
358	G	95.9	Very high	92.3	Very high	20 Å²	20	51.6 Å²	51.6	21%	0.206	29%	0.292	C	S	.	.			trans	133.9	155.4	-176.1	0	0	0	0	0	112	W355 P395	W355-G358 PolarHBondContact O-N 2.88Å; G358-P395 CarbonylContact C-O 3.54Å; G358-P395 VanDerWaalsContact CA-O 3.28Å; G358-P395 WeakPolarHBondContact CA-O 3.35Å
359	M	96.7	Very high	92.4	Very high	12 Å²	12	49.2 Å²	49.2	6%	0.059	28%	0.28	C	S	.	.			trans	-133	166.5	-174.4	-70.8	-73.9	-79.3	0	0	111	P352 W355 T363 V364 P395 I398 R399 F402	P352-M359 HydrophobicContact CG-CE 3.73Å; P352-M359 HydrophobicContact CG-SD 3.64Å; W355-M359 HydrophobicContact CB-CG 4.44Å; W355-M359 HydrophobicContact CB-SD 3.71Å; M359-T363 HydrophobicContact CE-CG2 3.67Å; M359-T363 HydrophobicContact SD-CG2 4.35Å; M359-V364 HydrophobicContact CB-CG2 3.97Å; M359-V364 HydrophobicContact CE-CG2 3.87Å; M359-P395 PolarHBondContact N-O 2.82Å; M359-P395 WeakPolarHBondContact O-CA 3.28Å; M359-I398 HydrophobicContact CB-CB 4.41Å; M359-I398 HydrophobicContact CB-CG2 3.84Å; M359-I398 WeakPolarHBondContact O-CB 3.37Å; M359-R399 HydrophobicContact CB-CB 4.4Å; M359-R399 HydrophobicContact CG-CB 4.09Å; M359-F402 HydrophobicContact CE-CD1 4.09Å; M359-F402 HydrophobicContact CE-CD2 4.27Å; M359-F402 HydrophobicContact CE-CE1 4.1Å; M359-F402 HydrophobicContact CE-CE2 4.26Å; M359-F402 HydrophobicContact CE-CG 4.13Å; M359-F402 HydrophobicContact CE-CZ 4.14Å; M359-F402 HydrophobicContact CG-CD1 4.31Å
360	N	96.3	Very high	92.4	Very high	72 Å²	72	52.2 Å²	52.2	39%	0.385	29%	0.29	S	S	.	.			trans	-120.3	158.1	168.8	62.7	62.9	0	0	0	110.3	E362 T363 V364	N360-E362 VanDerWaalsContact C-N 3.27Å; N360-E362 PolarHBondContact O-N 3.32Å; N360-E362 PolarHBondContact OD1-N 2.79Å; N360-E362 PolarHBondContact OD1-OE2 2.61Å; N360-T363 VanDerWaalsContact CG-OG1 3.26Å; N360-T363 PolarHBondContact ND2-OG1 2.04Å; N360-T363 VanDerWaalsContact ND2-OG1 3.12Å; N360-T363 PolarHBondContact O-N 3.12Å; N360-T363 WeakPolarHBondContact OD1-CB 3.21Å; N360-T363 PolarHBondContact OD1-N 2.66Å; N360-T363 PolarHBondContact OD1-OG1 3.44Å; N360-V364 WeakPolarHBondContact O-CG2 3.41Å; N360-V364 PolarHBondContact O-N 2.98Å; N360-V364 VanDerWaalsContact O-N 3.13Å
361	R	95.6	Very high	92.3	Very high	65 Å²	65	52 Å²	52	25%	0.245	29%	0.288	C	S	.	.	H	α-helix	trans	-55.7	-42.2	-174.7	179.4	179.1	-172.1	-69.2	0.3	112.3	T363 V364 L365 N382 M385 D386 L389	R361-T363 VanDerWaalsContact C-N 3.34Å; R361-T363 PolarHBondContact O-N 3.03Å; R361-V364 PolarHBondContact O-N 3.16Å; R361-L365 VanDerWaalsContact O-CB 3.31Å; R361-L365 WeakPolarHBondContact O-CB 3.3Å; R361-L365 PolarHBondContact O-N 3.2Å; R361-N382 PolarHBondContact NH1-OD1 2.95Å; R361-N382 PolarHBondContact NH2-OD1 3.29Å; R361-M385 HydrophobicContact CG-CE 4.3Å; R361-D386 IonicContact CZ-OD1 3.6Å; R361-D386 IonicContact NE-OD1 3.55Å; R361-D386 IonicContact NH2-OD1 2.81Å; R361-D386 PolarHBondContact NH2-OD1 2.91Å; R361-L389 HydrophobicContact CB-CD1 3.87Å; R361-L389 HydrophobicContact CG-CD1 3.66Å
362	E	94.8	Very high	92.2	Very high	127 Å²	127	53 Å²	53	59%	0.593	29%	0.29	S	S	*	.	H	α-helix	trans	-63.5	-42.4	-176.3	-64.5	65.2	-142.4	0	0	111.1	N360 L365 A366	N360-E362 VanDerWaalsContact C-N 3.27Å; N360-E362 PolarHBondContact O-N 3.32Å; N360-E362 PolarHBondContact OD1-N 2.79Å; N360-E362 PolarHBondContact OD1-OE2 2.61Å; E362-L365 PolarHBondContact O-N 2.91Å; E362-A366 PolarHBondContact O-N 3Å
363	T	93	Very high	91.8	Very high	42 Å²	42	55 Å²	55	26%	0.258	30%	0.303	S	S	.	.	H	α-helix	trans	-68.2	-41.9	178.9	-52.2	0	0	0	0	111.1	P352 M359 N360 R361 A366 V367	P352-T363 HydrophobicContact CB-CG2 4.22Å; P352-T363 HydrophobicContact CG-CG2 3.67Å; M359-T363 HydrophobicContact CE-CG2 3.67Å; M359-T363 HydrophobicContact SD-CG2 4.35Å; N360-T363 VanDerWaalsContact CG-OG1 3.26Å; N360-T363 PolarHBondContact ND2-OG1 2.04Å; N360-T363 VanDerWaalsContact ND2-OG1 3.12Å; N360-T363 PolarHBondContact O-N 3.12Å; N360-T363 WeakPolarHBondContact OD1-CB 3.21Å; N360-T363 PolarHBondContact OD1-N 2.66Å; N360-T363 PolarHBondContact OD1-OG1 3.44Å; R361-T363 VanDerWaalsContact C-N 3.34Å; R361-T363 PolarHBondContact O-N 3.03Å; T363-A366 PolarHBondContact O-N 3.31Å; T363-V367 PolarHBondContact O-N 2.79Å
364	V	94.4	Very high	91.3	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-63.3	-44.9	175.5	-178.6	0	0	0	0	110.8	M359 N360 R361 A366 V367 V368 M385 I398 F402 V405	M359-V364 HydrophobicContact CB-CG2 3.97Å; M359-V364 HydrophobicContact CE-CG2 3.87Å; N360-V364 WeakPolarHBondContact O-CG2 3.41Å; N360-V364 PolarHBondContact O-N 2.98Å; N360-V364 VanDerWaalsContact O-N 3.13Å; R361-V364 PolarHBondContact O-N 3.16Å; V364-A366 VanDerWaalsContact C-N 3.28Å; V364-A366 PolarHBondContact O-N 2.97Å; V364-V367 PolarHBondContact O-N 2.91Å; V364-V367 VanDerWaalsContact O-N 3.1Å; V364-V368 HydrophobicContact CG1-CG2 4.34Å; V364-V368 WeakPolarHBondContact O-CG2 3.42Å; V364-V368 PolarHBondContact O-N 3.02Å; V364-M385 HydrophobicContact CB-CE 3.56Å; V364-M385 HydrophobicContact CB-SD 4.32Å; V364-M385 HydrophobicContact CG1-CE 3.29Å; V364-M385 HydrophobicContact CG1-SD 3.56Å; V364-M385 VanDerWaalsContact CG1-SD 3.56Å; V364-I398 HydrophobicContact CG2-CG2 3.82Å; V364-F402 HydrophobicContact CB-CB 4.48Å; V364-F402 HydrophobicContact CB-CD2 4.45Å; V364-F402 HydrophobicContact CG1-CB 3.95Å; V364-F402 HydrophobicContact CG1-CD2 3.9Å; V364-F402 HydrophobicContact CG1-CG 4.39Å; V364-F402 HydrophobicContact CG2-CB 3.68Å; V364-F402 HydrophobicContact CG2-CD2 4.2Å; V364-F402 HydrophobicContact CG2-CG 4.16Å; V364-V405 HydrophobicContact CG1-CG1 4.12Å
365	L	93.6	Very high	90.5	Very high	22 Å²	22	55.2 Å²	55.2	12%	0.115	28%	0.282	C	S	.	.	H	α-helix	trans	-59.7	-38.2	178.3	-179.4	64.5	0	0	0	112	R361 E362 V367 V368 H369 N381 M385	R361-L365 VanDerWaalsContact O-CB 3.31Å; R361-L365 WeakPolarHBondContact O-CB 3.3Å; R361-L365 PolarHBondContact O-N 3.2Å; E362-L365 PolarHBondContact O-N 2.91Å; L365-V367 VanDerWaalsContact C-N 3.32Å; L365-V367 PolarHBondContact O-N 2.82Å; L365-V368 PolarHBondContact O-N 3.2Å; L365-H369 VanDerWaalsContact CD1-CE1 3.42Å; L365-H369 WeakPolarHBondContact CD1-CE1 3.3Å; L365-H369 VanDerWaalsContact O-CG 3.25Å; L365-H369 PolarHBondContact O-N 3.32Å; L365-N381 HydrophobicContact CD1-CB 4Å; L365-M385 HydrophobicContact CB-CG 4.29Å; L365-M385 HydrophobicContact CD1-CG 3.7Å
366	A	91.4	Very high	89.4	Confident	59 Å²	59	57 Å²	57	49%	0.488	30%	0.297	S	S	.	.	H	α-helix	trans	-60.7	-40.7	175.5	0	0	0	0	0	112.2	E362 T363 V364 H369 M370	E362-A366 PolarHBondContact O-N 3Å; T363-A366 PolarHBondContact O-N 3.31Å; V364-A366 VanDerWaalsContact C-N 3.28Å; V364-A366 PolarHBondContact O-N 2.97Å; A366-H369 WeakPolarHBondContact O-CB 3.47Å; A366-H369 PolarHBondContact O-N 3.26Å; A366-M370 PolarHBondContact O-N 3.41Å
367	V	90.9	Very high	88.5	Confident	14 Å²	14	60.3 Å²	60.3	9%	0.085	32%	0.322	C	S	.	.	H	α-helix	trans	-71.7	-38.8	176.2	-176.2	0	0	0	0	111.2	T363 V364 L365 H369 M370 F371 F402 I406	T363-V367 PolarHBondContact O-N 2.79Å; V364-V367 PolarHBondContact O-N 2.91Å; V364-V367 VanDerWaalsContact O-N 3.1Å; L365-V367 VanDerWaalsContact C-N 3.32Å; L365-V367 PolarHBondContact O-N 2.82Å; V367-H369 VanDerWaalsContact C-N 3.28Å; V367-H369 PolarHBondContact O-N 3.19Å; V367-M370 HydrophobicContact CG1-CE 4.26Å; V367-M370 WeakPolarHBondContact O-CB 3.05Å; V367-M370 PolarHBondContact O-N 2.88Å; V367-M370 VanDerWaalsContact O-N 3.1Å; V367-F371 HydrophobicContact CG1-CD2 3.67Å; V367-F371 HydrophobicContact CG1-CE2 3.51Å; V367-F371 WeakPolarHBondContact O-CD2 3.39Å; V367-F371 PolarHBondContact O-N 3.34Å; V367-F402 HydrophobicContact CB-CE2 3.96Å; V367-F402 HydrophobicContact CG1-CE2 3.86Å; V367-F402 HydrophobicContact CG2-CE2 4.06Å; V367-I406 HydrophobicContact CB-CD1 4.5Å; V367-I406 HydrophobicContact CG1-CD1 3.97Å; V367-I406 HydrophobicContact CG1-CG1 4.16Å
368	V	92.1	Very high	87.7	Confident	0 Å²	0	55.2 Å²	55.2	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-60.4	-38.4	172.6	172	0	0	0	0	110.8	V364 L365 M370 F371 N372 N381 M385 V405 I406 L409	V364-V368 HydrophobicContact CG1-CG2 4.34Å; V364-V368 WeakPolarHBondContact O-CG2 3.42Å; V364-V368 PolarHBondContact O-N 3.02Å; L365-V368 PolarHBondContact O-N 3.2Å; V368-M370 VanDerWaalsContact C-N 3.31Å; V368-M370 PolarHBondContact O-N 3.34Å; V368-F371 PolarHBondContact O-N 2.86Å; V368-N372 WeakPolarHBondContact O-CA 3.41Å; V368-N372 WeakPolarHBondContact O-CB 3.48Å; V368-N372 PolarHBondContact O-N 3.34Å; V368-N381 HydrophobicContact CG1-CB 4.01Å; V368-N381 WeakPolarHBondContact CG1-OD1 3.48Å; V368-M385 HydrophobicContact CG2-SD 3.7Å; V368-V405 HydrophobicContact CG2-CG1 3.99Å; V368-V405 HydrophobicContact CG2-CG2 4.3Å; V368-I406 HydrophobicContact CB-CD1 4.42Å; V368-I406 HydrophobicContact CG2-CD1 3.6Å; V368-L409 HydrophobicContact CG1-CD1 4.16Å
369	H	90.3	Very high	87.4	Confident	63 Å²	63	55.8 Å²	55.8	29%	0.292	31%	0.309	S	S	.	.	H	α-helix	trans	-62.6	-36.5	174.4	-70.6	-17.7	0	0	0	113.1	L365 A366 V367 N372 P373 A376 N381	L365-H369 VanDerWaalsContact CD1-CE1 3.42Å; L365-H369 WeakPolarHBondContact CD1-CE1 3.3Å; L365-H369 VanDerWaalsContact O-CG 3.25Å; L365-H369 PolarHBondContact O-N 3.32Å; A366-H369 WeakPolarHBondContact O-CB 3.47Å; A366-H369 PolarHBondContact O-N 3.26Å; V367-H369 VanDerWaalsContact C-N 3.28Å; V367-H369 PolarHBondContact O-N 3.19Å; H369-N372 CarbonylContact O-C 3.57Å; H369-P373 WeakPolarHBondContact O-CA 3.1Å; H369-A376 HydrophobicContact CB-CB 4.01Å; H369-A376 WeakPolarHBondContact ND1-CB 3.4Å; H369-N381 PolarHBondContact ND1-ND2 3.48Å
370	M	84.2	Confident	87.3	Confident	100 Å²	100	55.6 Å²	55.6	49%	0.493	31%	0.31	S	S	.	.	H	α-helix	trans	-64.4	-42.3	176.8	-174	175.2	72.5	0	0	111.9	F350 A366 V367 V368	F350-M370 HydrophobicContact CB-CE 4.2Å; F350-M370 HydrophobicContact CD1-CE 3.86Å; F350-M370 HydrophobicContact CG-CE 4.39Å; A366-M370 PolarHBondContact O-N 3.41Å; V367-M370 HydrophobicContact CG1-CE 4.26Å; V367-M370 WeakPolarHBondContact O-CB 3.05Å; V367-M370 PolarHBondContact O-N 2.88Å; V367-M370 VanDerWaalsContact O-N 3.1Å; V368-M370 VanDerWaalsContact C-N 3.31Å; V368-M370 PolarHBondContact O-N 3.34Å
371	F	83.6	Confident	87.2	Confident	46 Å²	46	52.2 Å²	52.2	20%	0.202	29%	0.291	C	S	.	.	H	α-helix	trans	-92.8	-19.1	-175.8	-65.9	-60.9	0	0	0	114.7	F342 F350 V367 V368 P373 I406 L410	F342-F371 HydrophobicContact CE2-CE2 4.45Å; F342-F371 HydrophobicContact CZ-CE2 4.35Å; F350-F371 HydrophobicContact CB-CE2 4.16Å; F350-F371 HydrophobicContact CB-CZ 3.85Å; F350-F371 HydrophobicContact CD1-CE1 4.41Å; F350-F371 AromaticContact CD1-CZ 3.79Å; F350-F371 HydrophobicContact CD1-CZ 3.79Å; F350-F371 HydrophobicContact CD2-CZ 4.06Å; F350-F371 HydrophobicContact CE1-CZ 4.34Å; F350-F371 HydrophobicContact CG-CE2 4.43Å; F350-F371 AromaticContact CG-CZ 3.64Å; F350-F371 HydrophobicContact CG-CZ 3.64Å; V367-F371 HydrophobicContact CG1-CD2 3.67Å; V367-F371 HydrophobicContact CG1-CE2 3.51Å; V367-F371 WeakPolarHBondContact O-CD2 3.39Å; V367-F371 PolarHBondContact O-N 3.34Å; V368-F371 PolarHBondContact O-N 2.86Å; F371-P373 VanDerWaalsContact C-CD 3.45Å; F371-I406 HydrophobicContact CD2-CD1 4.07Å; F371-I406 HydrophobicContact CD2-CG2 3.82Å; F371-I406 HydrophobicContact CE2-CG2 3.8Å; F371-L410 HydrophobicContact CB-CD2 4.15Å; F371-L410 HydrophobicContact CD1-CD1 4.17Å; F371-L410 HydrophobicContact CD1-CD2 3.5Å; F371-L410 HydrophobicContact CD1-CG 4.25Å; F371-L410 HydrophobicContact CD2-CD1 4.45Å; F371-L410 HydrophobicContact CE1-CD1 3.95Å; F371-L410 HydrophobicContact CE1-CD2 3.94Å; F371-L410 HydrophobicContact CE1-CG 4.5Å; F371-L410 HydrophobicContact CE2-CD1 4.24Å; F371-L410 HydrophobicContact CG-CD1 4.37Å; F371-L410 HydrophobicContact CG-CD2 3.92Å; F371-L410 HydrophobicContact CG-CG 4.31Å; F371-L410 HydrophobicContact CZ-CD1 3.96Å
372	N	86.9	Confident	87.1	Confident	39 Å²	39	52 Å²	52	21%	0.209	30%	0.295	C	S	.	.			trans	-127.7	67.8	172.9	-172.6	19.3	0	0	0	111	V368 H369 K374 G375 A376 N381 L409	V368-N372 WeakPolarHBondContact O-CA 3.41Å; V368-N372 WeakPolarHBondContact O-CB 3.48Å; V368-N372 PolarHBondContact O-N 3.34Å; H369-N372 CarbonylContact O-C 3.57Å; N372-K374 VanDerWaalsContact C-N 3.32Å; N372-K374 PolarHBondContact O-N 3.5Å; N372-G375 WeakPolarHBondContact O-CA 3.36Å; N372-G375 PolarHBondContact O-N 2.83Å; N372-G375 PolarHBondContact OD1-N 2.91Å; N372-A376 PolarHBondContact O-N 2.95Å; N372-N381 PolarHBondContact ND2-OD1 3.42Å; N372-N381 PolarHBondContact O-ND2 2.66Å; N372-L409 HydrophobicContact CB-CD1 4.43Å
373	P	82.4	Confident	87.2	Confident	80 Å²	80	47 Å²	47	52%	0.519	27%	0.272	S	S	.	.	H	α-helix	trans	-64.7	-33.7	-175.5	24.3	-34.1	0	0	0	112.8	H369 F371 G375 A376	H369-P373 WeakPolarHBondContact O-CA 3.1Å; F371-P373 VanDerWaalsContact C-CD 3.45Å; P373-G375 PolarHBondContact O-N 2.71Å; P373-A376 VanDerWaalsContact O-CB 3.3Å; P373-A376 WeakPolarHBondContact O-CB 3.36Å; P373-A376 PolarHBondContact O-N 3.11Å
374	K	79.8	Confident	87.3	Confident	173 Å²	173	45.1 Å²	45.1	75%	0.752	26%	0.261	S	S	*	.	H	α-helix	trans	-61.9	-33.5	172.5	-67.9	-179.1	-178.7	173	0	111.8	N372 A376 T377	N372-K374 VanDerWaalsContact C-N 3.32Å; N372-K374 PolarHBondContact O-N 3.5Å; K374-A376 VanDerWaalsContact C-N 3.29Å; K374-T377 PolarHBondContact O-OG1 2.97Å; K374-T377 VanDerWaalsContact O-OG1 3.04Å
375	G	75.3	Confident	87.4	Confident	3 Å²	3	45.2 Å²	45.2	3%	0.031	26%	0.261	C	S	.	.	H	α-helix	trans	-72.7	-19.8	173.5	0	0	0	0	0	113.8	N372 P373 S378 N381	N372-G375 WeakPolarHBondContact O-CA 3.36Å; N372-G375 PolarHBondContact O-N 2.83Å; N372-G375 PolarHBondContact OD1-N 2.91Å; P373-G375 PolarHBondContact O-N 2.71Å; G375-S378 PolarHBondContact O-N 3.29Å; G375-S378 PolarHBondContact O-OG 3.25Å; G375-N381 PolarHBondContact O-N 2.9Å; G375-N381 PolarHBondContact O-ND2 2.91Å
376	A	70.7	Confident	87.5	Confident	42 Å²	42	48 Å²	48	35%	0.347	28%	0.276	S	S	.	.	H	α-helix	trans	-78.2	-27.8	-178.9	0	0	0	0	0	112.2	H369 N372 P373 K374 S378 N381	H369-A376 HydrophobicContact CB-CB 4.01Å; H369-A376 WeakPolarHBondContact ND1-CB 3.4Å; N372-A376 PolarHBondContact O-N 2.95Å; P373-A376 VanDerWaalsContact O-CB 3.3Å; P373-A376 WeakPolarHBondContact O-CB 3.36Å; P373-A376 PolarHBondContact O-N 3.11Å; K374-A376 VanDerWaalsContact C-N 3.29Å; A376-S378 PolarHBondContact O-N 3.3Å; A376-N381 WeakPolarHBondContact CA-ND2 3.45Å; A376-N381 PolarHBondContact N-ND2 3.47Å
377	T	75.3	Confident	87.8	Confident	129 Å²	129	46.9 Å²	46.9	79%	0.791	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82	6.4	174.6	59.9	0	0	0	0	113	K374	K374-T377 PolarHBondContact O-OG1 2.97Å; K374-T377 VanDerWaalsContact O-OG1 3.04Å
378	S	78.8	Confident	88.1	Confident	51 Å²	51	46.8 Å²	46.8	36%	0.357	26%	0.259	S	S	.	.	S	Bend	trans	-138.6	176.7	178.1	67.5	0	0	0	0	111.5	G375 A376 A380	G375-S378 PolarHBondContact O-N 3.29Å; G375-S378 PolarHBondContact O-OG 3.25Å; A376-S378 PolarHBondContact O-N 3.3Å; S378-A380 PolarHBondContact O-N 3.2Å; S378-A380 WeakPolarHBondContact OG-CB 3.37Å; S378-A380 PolarHBondContact OG-N 3.13Å
379	A	89.9	Confident	88.3	Confident	32 Å²	32	47.9 Å²	47.9	26%	0.264	27%	0.265	S	S	.	.	S	Bend	trans	-71.4	-2.2	171.5	0	0	0	0	0	113.3	N381 N382 L383 L547 M550	A379-N381 PolarHBondContact O-N 2.84Å; A379-N382 PolarHBondContact O-N 3.33Å; A379-L383 WeakPolarHBondContact O-CG 3.41Å; A379-L383 PolarHBondContact O-N 3.05Å; A379-L383 VanDerWaalsContact O-N 3.08Å; A379-L547 HydrophobicContact CB-CD2 4.04Å; A379-M550 HydrophobicContact CB-CE 3.61Å; A379-M550 HydrophobicContact CB-SD 4.04Å
380	A	93.6	Very high	88.6	Confident	9 Å²	9	50.6 Å²	50.6	7%	0.074	28%	0.276	C	S	.	.	H	α-helix	trans	-62.4	-46.7	-170	0	0	0	0	0	112.8	S378 N382 L383 I384 L543 L547	S378-A380 PolarHBondContact O-N 3.2Å; S378-A380 WeakPolarHBondContact OG-CB 3.37Å; S378-A380 PolarHBondContact OG-N 3.13Å; A380-N382 VanDerWaalsContact C-N 3.28Å; A380-N382 PolarHBondContact O-N 3.06Å; A380-L383 PolarHBondContact O-N 3.48Å; A380-L383 VanDerWaalsContact O-N 3.16Å; A380-I384 VanDerWaalsContact O-CG1 3.29Å; A380-I384 WeakPolarHBondContact O-CG1 3.22Å; A380-I384 PolarHBondContact O-N 3.21Å; A380-L543 HydrophobicContact CB-CD1 4.35Å; A380-L543 HydrophobicContact CB-CD2 4.49Å; A380-L547 HydrophobicContact CB-CD1 4.04Å; A380-L547 HydrophobicContact CB-CD2 4.32Å
381	N	94.3	Very high	89.2	Confident	0 Å²	0	51.5 Å²	51.5	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-63.4	-34.9	-179.9	-81.6	-12.8	0	0	0	112.6	L365 V368 H369 N372 G375 A376 A379 M385	L365-N381 HydrophobicContact CD1-CB 4Å; V368-N381 HydrophobicContact CG1-CB 4.01Å; V368-N381 WeakPolarHBondContact CG1-OD1 3.48Å; H369-N381 PolarHBondContact ND1-ND2 3.48Å; N372-N381 PolarHBondContact ND2-OD1 3.42Å; N372-N381 PolarHBondContact O-ND2 2.66Å; G375-N381 PolarHBondContact O-N 2.9Å; G375-N381 PolarHBondContact O-ND2 2.91Å; A376-N381 WeakPolarHBondContact CA-ND2 3.45Å; A376-N381 PolarHBondContact N-ND2 3.47Å; A379-N381 PolarHBondContact O-N 2.84Å; N381-M385 WeakPolarHBondContact O-CB 3.4Å; N381-M385 VanDerWaalsContact O-CG 3.25Å; N381-M385 WeakPolarHBondContact O-CG 3.46Å; N381-M385 PolarHBondContact O-N 3.32Å
382	N	94.8	Very high	89.8	Confident	61 Å²	61	50.8 Å²	50.8	33%	0.326	29%	0.285	S	S	.	.	H	α-helix	trans	-66.7	-44.5	173.7	-80.6	-64.5	0	0	0	111.7	R361 A379 A380 I384 M385 D386	R361-N382 PolarHBondContact NH1-OD1 2.95Å; R361-N382 PolarHBondContact NH2-OD1 3.29Å; A379-N382 PolarHBondContact O-N 3.33Å; A380-N382 VanDerWaalsContact C-N 3.28Å; A380-N382 PolarHBondContact O-N 3.06Å; N382-I384 VanDerWaalsContact C-N 3.33Å; N382-I384 PolarHBondContact O-N 2.78Å; N382-M385 WeakPolarHBondContact O-CB 3.3Å; N382-M385 PolarHBondContact O-N 3.47Å; N382-D386 PolarHBondContact O-N 2.92Å
383	L	95.9	Very high	90.3	Very high	22 Å²	22	57.9 Å²	57.9	12%	0.115	31%	0.314	C	S	.	.	H	α-helix	trans	-64.4	-37.4	177.2	-68.6	174.1	0	0	0	112.7	A379 A380 D386 E387 F538 L543 K546 L547 M550	A379-L383 WeakPolarHBondContact O-CG 3.41Å; A379-L383 PolarHBondContact O-N 3.05Å; A379-L383 VanDerWaalsContact O-N 3.08Å; A380-L383 PolarHBondContact O-N 3.48Å; A380-L383 VanDerWaalsContact O-N 3.16Å; L383-D386 PolarHBondContact O-N 2.87Å; L383-E387 PolarHBondContact O-N 2.86Å; L383-E387 VanDerWaalsContact O-N 3.11Å; L383-F538 WeakPolarHBondContact O-CZ 3.25Å; L383-L543 HydrophobicContact CB-CD1 3.65Å; L383-L543 HydrophobicContact CD1-CD1 3.77Å; L383-L543 HydrophobicContact CG-CD1 4.39Å; L383-K546 HydrophobicContact CD1-CB 3.88Å; L383-K546 HydrophobicContact CD1-CD 4.44Å; L383-K546 HydrophobicContact CD2-CD 4.17Å; L383-L547 HydrophobicContact CD1-CD2 3.95Å; L383-L547 HydrophobicContact CD1-CG 4.2Å; L383-M550 HydrophobicContact CD1-SD 4Å
384	I	96	Very high	91.1	Very high	3 Å²	3	56.7 Å²	56.7	2%	0.015	31%	0.305	C	S	.	.	H	α-helix	trans	-61.1	-50.6	172.2	-69.4	164.6	0	0	0	109.3	A380 N382 D386 E387 Y388 V405 F538 I539 L543	A380-I384 VanDerWaalsContact O-CG1 3.29Å; A380-I384 WeakPolarHBondContact O-CG1 3.22Å; A380-I384 PolarHBondContact O-N 3.21Å; N382-I384 VanDerWaalsContact C-N 3.33Å; N382-I384 PolarHBondContact O-N 2.78Å; I384-D386 VanDerWaalsContact C-N 3.32Å; I384-D386 PolarHBondContact O-N 3.25Å; I384-E387 PolarHBondContact O-N 2.95Å; I384-E387 VanDerWaalsContact O-N 3.13Å; I384-Y388 HydrophobicContact CG2-CD2 3.98Å; I384-Y388 HydrophobicContact CG2-CE2 4.07Å; I384-Y388 WeakPolarHBondContact O-CD2 3.32Å; I384-Y388 PolarHBondContact O-N 2.89Å; I384-V405 HydrophobicContact CG2-CG2 3.65Å; I384-F538 HydrophobicContact CG1-CE1 4.11Å; I384-I539 HydrophobicContact CD1-CD1 4.12Å; I384-I539 HydrophobicContact CG1-CD1 3.94Å; I384-L543 HydrophobicContact CD1-CD2 3.99Å; I384-L543 HydrophobicContact CG1-CD2 3.89Å
385	M	95.6	Very high	91.9	Very high	1 Å²	1	51.7 Å²	51.7	1%	0.005	29%	0.29	C	S	.	.	H	α-helix	trans	-57.4	-44.2	177.8	-77.8	-54.1	-61.4	0	0	112.7	R361 V364 L365 V368 N381 N382 E387 Y388 L389	R361-M385 HydrophobicContact CG-CE 4.3Å; V364-M385 HydrophobicContact CB-CE 3.56Å; V364-M385 HydrophobicContact CB-SD 4.32Å; V364-M385 HydrophobicContact CG1-CE 3.29Å; V364-M385 HydrophobicContact CG1-SD 3.56Å; V364-M385 VanDerWaalsContact CG1-SD 3.56Å; L365-M385 HydrophobicContact CB-CG 4.29Å; L365-M385 HydrophobicContact CD1-CG 3.7Å; V368-M385 HydrophobicContact CG2-SD 3.7Å; N381-M385 WeakPolarHBondContact O-CB 3.4Å; N381-M385 VanDerWaalsContact O-CG 3.25Å; N381-M385 WeakPolarHBondContact O-CG 3.46Å; N381-M385 PolarHBondContact O-N 3.32Å; N382-M385 WeakPolarHBondContact O-CB 3.3Å; N382-M385 PolarHBondContact O-N 3.47Å; M385-E387 VanDerWaalsContact C-N 3.28Å; M385-E387 PolarHBondContact O-N 3.05Å; M385-Y388 PolarHBondContact O-N 3.24Å; M385-L389 HydrophobicContact CE-CD1 3.36Å; M385-L389 HydrophobicContact CE-CD2 4.44Å; M385-L389 HydrophobicContact CE-CG 3.81Å; M385-L389 VanDerWaalsContact O-CB 3.27Å; M385-L389 WeakPolarHBondContact O-CB 3.38Å; M385-L389 WeakPolarHBondContact O-CG 3.34Å; M385-L389 PolarHBondContact O-N 3.1Å
386	D	95.9	Very high	93	Very high	80 Å²	80	55.5 Å²	55.5	43%	0.428	31%	0.307	S	S	.	.	H	α-helix	trans	-63.5	-35.4	179.2	-62.1	-15.6	0	0	0	111.7	R361 N382 L383 I384 K390	R361-D386 IonicContact CZ-OD1 3.6Å; R361-D386 IonicContact NE-OD1 3.55Å; R361-D386 IonicContact NH2-OD1 2.81Å; R361-D386 PolarHBondContact NH2-OD1 2.91Å; N382-D386 PolarHBondContact O-N 2.92Å; L383-D386 PolarHBondContact O-N 2.87Å; I384-D386 VanDerWaalsContact C-N 3.32Å; I384-D386 PolarHBondContact O-N 3.25Å; D386-K390 WeakPolarHBondContact O-CA 3.3Å; D386-K390 WeakPolarHBondContact O-CB 3.31Å; D386-K390 PolarHBondContact O-N 3.41Å; D386-K390 VanDerWaalsContact O-N 3.09Å
387	E	97	Very high	94.3	Very high	36 Å²	36	56.3 Å²	56.3	17%	0.168	31%	0.306	C	S	.	.	H	α-helix	trans	-72.6	-35.8	177.1	177.2	59.4	-142.1	0	0	113.4	L383 I384 M385 K390 R535 F538	L383-E387 PolarHBondContact O-N 2.86Å; L383-E387 VanDerWaalsContact O-N 3.11Å; I384-E387 PolarHBondContact O-N 2.95Å; I384-E387 VanDerWaalsContact O-N 3.13Å; M385-E387 VanDerWaalsContact C-N 3.28Å; M385-E387 PolarHBondContact O-N 3.05Å; E387-K390 WeakPolarHBondContact O-CD 3.27Å; E387-K390 IonicContact OE1-NZ 3.4Å; E387-K390 PolarHBondContact OE1-NZ 3.25Å; E387-R535 PolarHBondContact O-NH1 3.41Å; E387-R535 IonicContact OE1-NH1 2.67Å; E387-R535 PolarHBondContact OE1-NH1 2.96Å; E387-F538 HydrophobicContact CB-CD1 4.3Å; E387-F538 HydrophobicContact CB-CD2 4.13Å; E387-F538 HydrophobicContact CB-CE1 3.84Å; E387-F538 HydrophobicContact CB-CE2 3.63Å; E387-F538 HydrophobicContact CB-CG 4.44Å; E387-F538 HydrophobicContact CB-CZ 3.47Å; E387-F538 VanDerWaalsContact CB-CZ 3.47Å; E387-F538 HydrophobicContact CG-CB 4.5Å; E387-F538 HydrophobicContact CG-CD1 3.9Å; E387-F538 HydrophobicContact CG-CD2 3.6Å; E387-F538 HydrophobicContact CG-CE1 3.96Å; E387-F538 HydrophobicContact CG-CE2 3.66Å; E387-F538 HydrophobicContact CG-CG 3.72Å; E387-F538 HydrophobicContact CG-CZ 3.84Å
388	Y	97.4	Very high	95.4	Very high	13 Å²	13	51.7 Å²	51.7	5%	0.051	28%	0.276	C	S	.	.	H	α-helix	trans	-79.1	-32.8	177.3	-82.9	-102.7	0	0	0	112.2	I384 M385 E404 V405 D408	I384-Y388 HydrophobicContact CG2-CD2 3.98Å; I384-Y388 HydrophobicContact CG2-CE2 4.07Å; I384-Y388 WeakPolarHBondContact O-CD2 3.32Å; I384-Y388 PolarHBondContact O-N 2.89Å; M385-Y388 PolarHBondContact O-N 3.24Å; Y388-E404 HydrophobicContact CD1-CB 4.35Å; Y388-E404 HydrophobicContact CE1-CB 4.29Å; Y388-V405 HydrophobicContact CD1-CB 3.53Å; Y388-V405 HydrophobicContact CD1-CG2 4.06Å; Y388-V405 HydrophobicContact CD2-CB 4.18Å; Y388-V405 HydrophobicContact CD2-CG2 3.78Å; Y388-V405 VanDerWaalsContact CE1-CA 3.43Å; Y388-V405 HydrophobicContact CE1-CB 3.82Å; Y388-V405 HydrophobicContact CE1-CG2 4.19Å; Y388-V405 HydrophobicContact CE2-CB 4.41Å; Y388-V405 HydrophobicContact CE2-CG2 3.9Å; Y388-V405 HydrophobicContact CG-CB 3.72Å; Y388-V405 HydrophobicContact CG-CG2 3.85Å; Y388-D408 WeakPolarHBondContact CE1-OD2 3.49Å; Y388-D408 WeakPolarHBondContact OH-CB 3.28Å; Y388-D408 PolarHBondContact OH-OD2 2.96Å
389	L	97.1	Very high	96.3	Very high	23 Å²	23	50.4 Å²	50.4	12%	0.12	26%	0.264	C	S	.	.	H	α-helix	trans	-93.4	0.1	-178.7	-63.7	-176.1	0	0	0	114.8	R361 M385 D391 A392 I398 A401	R361-L389 HydrophobicContact CB-CD1 3.87Å; R361-L389 HydrophobicContact CG-CD1 3.66Å; M385-L389 HydrophobicContact CE-CD1 3.36Å; M385-L389 HydrophobicContact CE-CD2 4.44Å; M385-L389 HydrophobicContact CE-CG 3.81Å; M385-L389 VanDerWaalsContact O-CB 3.27Å; M385-L389 WeakPolarHBondContact O-CB 3.38Å; M385-L389 WeakPolarHBondContact O-CG 3.34Å; M385-L389 PolarHBondContact O-N 3.1Å; L389-D391 PolarHBondContact O-N 2.92Å; L389-A392 HydrophobicContact CB-CB 4.41Å; L389-A392 HydrophobicContact CD2-CB 4.17Å; L389-A392 WeakPolarHBondContact O-CB 3.34Å; L389-A392 PolarHBondContact O-N 2.9Å; L389-I398 HydrophobicContact CD2-CB 4.24Å; L389-I398 HydrophobicContact CD2-CG1 4.14Å; L389-I398 HydrophobicContact CD2-CG2 3.96Å; L389-A401 HydrophobicContact CD2-CB 3.46Å; L389-A401 VanDerWaalsContact CD2-CB 3.46Å
390	K	96	Very high	96.6	Very high	119 Å²	119	51.7 Å²	51.7	52%	0.517	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.2	-30.8	-172.6	68.3	-171.7	179.2	-170.1	0	114.9	D386 E387	D386-K390 WeakPolarHBondContact O-CA 3.3Å; D386-K390 WeakPolarHBondContact O-CB 3.31Å; D386-K390 PolarHBondContact O-N 3.41Å; D386-K390 VanDerWaalsContact O-N 3.09Å; E387-K390 WeakPolarHBondContact O-CD 3.27Å; E387-K390 IonicContact OE1-NZ 3.4Å; E387-K390 PolarHBondContact OE1-NZ 3.25Å
391	D	96.1	Very high	96.8	Very high	120 Å²	120	51.9 Å²	51.9	64%	0.642	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.5	-2.4	-177.9	-61.4	-52.2	0	0	0	113.1	L389	L389-D391 PolarHBondContact O-N 2.92Å
392	A	97.3	Very high	96.9	Very high	31 Å²	31	51.9 Å²	51.9	26%	0.256	27%	0.267	S	S	.	.			trans	-74.7	130.1	-175.3	0	0	0	0	0	111.7	L389 D397 I398	L389-A392 HydrophobicContact CB-CB 4.41Å; L389-A392 HydrophobicContact CD2-CB 4.17Å; L389-A392 WeakPolarHBondContact O-CB 3.34Å; L389-A392 PolarHBondContact O-N 2.9Å; A392-D397 HydrophobicContact CB-CB 3.73Å; A392-I398 HydrophobicContact CB-CG1 4Å
393	K	97.3	Very high	97	Very high	188 Å²	188	49 Å²	49	82%	0.817	25%	0.252	S	S	*	.			trans	-122.1	-25.5	-177	-62.8	173.5	-171.7	171.6	0	112.7	D397	K393-D397 WeakPolarHBondContact CA-OD2 3.27Å; K393-D397 PolarHBondContact N-OD2 3.3Å
394	T	98.1	Very high	97.1	Very high	54 Å²	54	50 Å²	50	33%	0.331	26%	0.256	S	S	.	.	S	Bend	trans	-121.1	163.7	179.6	79.7	0	0	0	0	112	E396 D397 I398	T394-E396 WeakPolarHBondContact CB-OE2 3.32Å; T394-E396 PolarHBondContact O-N 2.91Å; T394-E396 PolarHBondContact OG1-N 3.18Å; T394-E396 PolarHBondContact OG1-OE2 3.47Å; T394-D397 PolarHBondContact N-OD2 3.44Å; T394-D397 WeakPolarHBondContact O-CB 3.46Å; T394-D397 PolarHBondContact O-N 2.91Å; T394-D397 VanDerWaalsContact O-N 3.15Å; T394-D397 PolarHBondContact OG1-N 2.98Å; T394-I398 WeakPolarHBondContact O-CG1 3.26Å; T394-I398 PolarHBondContact O-N 3.19Å; T394-I398 VanDerWaalsContact O-N 3.09Å
395	P	97.9	Very high	97.1	Very high	68 Å²	68	50 Å²	50	44%	0.442	26%	0.256	S	S	.	.	H	α-helix	trans	-55.8	-32.8	171.7	-27.3	37.2	0	0	0	113.9	G358 M359 I398 R399	G358-P395 CarbonylContact C-O 3.54Å; G358-P395 VanDerWaalsContact CA-O 3.28Å; G358-P395 WeakPolarHBondContact CA-O 3.35Å; M359-P395 PolarHBondContact N-O 2.82Å; M359-P395 WeakPolarHBondContact O-CA 3.28Å; P395-I398 PolarHBondContact O-N 3.06Å; P395-R399 PolarHBondContact O-N 3.28Å
396	E	97.9	Very high	97.1	Very high	83 Å²	83	49.9 Å²	49.9	39%	0.388	26%	0.256	S	S	.	.	H	α-helix	trans	-69.9	-39.5	175.7	-58.4	80.8	-179.6	0	0	111.9	T394 I398 R399 D400	T394-E396 WeakPolarHBondContact CB-OE2 3.32Å; T394-E396 PolarHBondContact O-N 2.91Å; T394-E396 PolarHBondContact OG1-N 3.18Å; T394-E396 PolarHBondContact OG1-OE2 3.47Å; E396-I398 VanDerWaalsContact C-N 3.25Å; E396-I398 PolarHBondContact O-N 2.76Å; E396-R399 WeakPolarHBondContact O-CB 3.24Å; E396-R399 PolarHBondContact O-N 2.75Å; E396-R399 VanDerWaalsContact O-N 3.13Å; E396-D400 PolarHBondContact O-N 3.42Å
397	D	98.1	Very high	97.1	Very high	60 Å²	60	46.3 Å²	46.3	32%	0.321	24%	0.238	S	C	.	.	H	α-helix	trans	-61.4	-38.6	172.2	-60.5	-30.8	0	0	0	110.9	A392 K393 T394 R399 D400 A401	A392-D397 HydrophobicContact CB-CB 3.73Å; K393-D397 WeakPolarHBondContact CA-OD2 3.27Å; K393-D397 PolarHBondContact N-OD2 3.3Å; T394-D397 PolarHBondContact N-OD2 3.44Å; T394-D397 WeakPolarHBondContact O-CB 3.46Å; T394-D397 PolarHBondContact O-N 2.91Å; T394-D397 VanDerWaalsContact O-N 3.15Å; T394-D397 PolarHBondContact OG1-N 2.98Å; D397-R399 VanDerWaalsContact C-N 3.34Å; D397-D400 PolarHBondContact O-N 2.66Å; D397-A401 WeakPolarHBondContact O-CB 3.42Å; D397-A401 PolarHBondContact O-N 3.08Å
398	I	97.9	Very high	97.1	Very high	32 Å²	32	44.7 Å²	44.7	16%	0.164	23%	0.23	C	C	.	.	H	α-helix	trans	-66.8	-36.7	175.8	-61.4	171.8	0	0	0	110.8	M359 V364 L389 A392 T394 P395 E396 A401 F402	M359-I398 HydrophobicContact CB-CB 4.41Å; M359-I398 HydrophobicContact CB-CG2 3.84Å; M359-I398 WeakPolarHBondContact O-CB 3.37Å; V364-I398 HydrophobicContact CG2-CG2 3.82Å; L389-I398 HydrophobicContact CD2-CB 4.24Å; L389-I398 HydrophobicContact CD2-CG1 4.14Å; L389-I398 HydrophobicContact CD2-CG2 3.96Å; A392-I398 HydrophobicContact CB-CG1 4Å; T394-I398 WeakPolarHBondContact O-CG1 3.26Å; T394-I398 PolarHBondContact O-N 3.19Å; T394-I398 VanDerWaalsContact O-N 3.09Å; P395-I398 PolarHBondContact O-N 3.06Å; E396-I398 VanDerWaalsContact C-N 3.25Å; E396-I398 PolarHBondContact O-N 2.76Å; I398-A401 PolarHBondContact O-N 3.02Å; I398-F402 WeakPolarHBondContact O-CB 3.17Å; I398-F402 PolarHBondContact O-N 3.12Å
399	R	97.3	Very high	96.9	Very high	24 Å²	24	45.7 Å²	45.7	9%	0.091	24%	0.236	C	C	.	.	H	α-helix	trans	-62.1	-46.1	172.2	172.4	-151.6	67.8	-146.4	-6.8	110.9	W355 E356 M359 P395 E396 D397 A401 F402 T403 F448	W355-R399 HydrophobicContact CE3-CG 4.05Å; W355-R399 HydrophobicContact CZ3-CG 4.2Å; W355-R399 WeakPolarHBondContact O-CG 3.35Å; E356-R399 VanDerWaalsContact O-CD 3.28Å; E356-R399 WeakPolarHBondContact O-CD 3.49Å; E356-R399 PolarHBondContact O-NH1 3.25Å; E356-R399 VanDerWaalsContact O-NH1 3.08Å; M359-R399 HydrophobicContact CB-CB 4.4Å; M359-R399 HydrophobicContact CG-CB 4.09Å; P395-R399 PolarHBondContact O-N 3.28Å; E396-R399 WeakPolarHBondContact O-CB 3.24Å; E396-R399 PolarHBondContact O-N 2.75Å; E396-R399 VanDerWaalsContact O-N 3.13Å; D397-R399 VanDerWaalsContact C-N 3.34Å; R399-A401 VanDerWaalsContact C-N 3.31Å; R399-A401 PolarHBondContact O-N 3.05Å; R399-F402 WeakPolarHBondContact O-CA 3.44Å; R399-F402 VanDerWaalsContact O-CB 3.25Å; R399-F402 WeakPolarHBondContact O-CB 3.49Å; R399-F402 PolarHBondContact O-N 2.84Å; R399-F402 VanDerWaalsContact O-N 3.1Å; R399-T403 PolarHBondContact O-N 2.85Å; R399-F448 VanDerWaalsContact CZ-CD1 3.47Å
400	D	97.6	Very high	96.5	Very high	59 Å²	59	45.3 Å²	45.3	32%	0.316	23%	0.234	S	C	.	.	H	α-helix	trans	-66	-38.6	-179.2	-66.7	-13.3	0	0	0	111	E396 D397 F402 T403 E404	E396-D400 PolarHBondContact O-N 3.42Å; D397-D400 PolarHBondContact O-N 2.66Å; D400-F402 VanDerWaalsContact C-N 3.31Å; D400-F402 PolarHBondContact O-N 3Å; D400-T403 PolarHBondContact O-N 2.84Å; D400-T403 PolarHBondContact O-OG1 3.01Å; D400-E404 VanDerWaalsContact O-CG 3.31Å; D400-E404 WeakPolarHBondContact O-CG 3.29Å; D400-E404 PolarHBondContact O-N 2.94Å; D400-E404 VanDerWaalsContact O-N 3.11Å
401	A	96.9	Very high	96.5	Very high	12 Å²	12	40.1 Å²	40.1	10%	0.099	21%	0.212	C	C	.	.	H	α-helix	trans	-66.4	-32.4	172.2	0	0	0	0	0	113	L389 D397 I398 R399 V405	L389-A401 HydrophobicContact CD2-CB 3.46Å; L389-A401 VanDerWaalsContact CD2-CB 3.46Å; D397-A401 WeakPolarHBondContact O-CB 3.42Å; D397-A401 PolarHBondContact O-N 3.08Å; I398-A401 PolarHBondContact O-N 3.02Å; R399-A401 VanDerWaalsContact C-N 3.31Å; R399-A401 PolarHBondContact O-N 3.05Å; A401-V405 WeakPolarHBondContact O-CB 3.5Å; A401-V405 VanDerWaalsContact O-CG1 3.31Å; A401-V405 WeakPolarHBondContact O-CG1 3.29Å; A401-V405 PolarHBondContact O-N 3.18Å
402	F	96.4	Very high	96.5	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-63	-47	173.7	160.9	-117.4	0	0	0	112.3	F342 W355 M359 V364 V367 I398 R399 D400 E404 V405 I406	F342-F402 HydrophobicContact CD1-CE1 4.42Å; F342-F402 HydrophobicContact CD1-CZ 4.31Å; F342-F402 AromaticContact CE1-CE1 3.93Å; F342-F402 HydrophobicContact CE1-CE1 3.93Å; F342-F402 AromaticContact CE1-CE2 3.9Å; F342-F402 HydrophobicContact CE1-CE2 3.9Å; F342-F402 AromaticContact CE1-CZ 3.49Å; F342-F402 HydrophobicContact CE1-CZ 3.49Å; F342-F402 VanDerWaalsContact CE1-CZ 3.49Å; F342-F402 HydrophobicContact CZ-CZ 4.38Å; W355-F402 HydrophobicContact CB-CE1 4.36Å; W355-F402 HydrophobicContact CD2-CE1 4.43Å; W355-F402 HydrophobicContact CE3-CD1 4.36Å; W355-F402 HydrophobicContact CE3-CE1 4.11Å; M359-F402 HydrophobicContact CE-CD1 4.09Å; M359-F402 HydrophobicContact CE-CD2 4.27Å; M359-F402 HydrophobicContact CE-CE1 4.1Å; M359-F402 HydrophobicContact CE-CE2 4.26Å; M359-F402 HydrophobicContact CE-CG 4.13Å; M359-F402 HydrophobicContact CE-CZ 4.14Å; M359-F402 HydrophobicContact CG-CD1 4.31Å; V364-F402 HydrophobicContact CB-CB 4.48Å; V364-F402 HydrophobicContact CB-CD2 4.45Å; V364-F402 HydrophobicContact CG1-CB 3.95Å; V364-F402 HydrophobicContact CG1-CD2 3.9Å; V364-F402 HydrophobicContact CG1-CG 4.39Å; V364-F402 HydrophobicContact CG2-CB 3.68Å; V364-F402 HydrophobicContact CG2-CD2 4.2Å; V364-F402 HydrophobicContact CG2-CG 4.16Å; V367-F402 HydrophobicContact CB-CE2 3.96Å; V367-F402 HydrophobicContact CG1-CE2 3.86Å; V367-F402 HydrophobicContact CG2-CE2 4.06Å; I398-F402 WeakPolarHBondContact O-CB 3.17Å; I398-F402 PolarHBondContact O-N 3.12Å; R399-F402 WeakPolarHBondContact O-CA 3.44Å; R399-F402 VanDerWaalsContact O-CB 3.25Å; R399-F402 WeakPolarHBondContact O-CB 3.49Å; R399-F402 PolarHBondContact O-N 2.84Å; R399-F402 VanDerWaalsContact O-N 3.1Å; D400-F402 VanDerWaalsContact C-N 3.31Å; D400-F402 PolarHBondContact O-N 3Å; F402-E404 VanDerWaalsContact C-N 3.33Å; F402-V405 WeakPolarHBondContact O-CG1 3.39Å; F402-I406 HydrophobicContact CD2-CG1 3.8Å; F402-I406 HydrophobicContact CE2-CG1 3.81Å; F402-I406 WeakPolarHBondContact O-CG1 3.49Å; F402-I406 PolarHBondContact O-N 3.27Å; F402-I406 VanDerWaalsContact O-N 3.17Å
403	T	97.1	Very high	96.4	Very high	2 Å²	2	34.2 Å²	34.2	1%	0.012	18%	0.176	C	C	.	.	H	α-helix	trans	-66.4	-38.4	178.3	62.7	0	0	0	0	111.3	H340 F342 W355 R399 D400 G407	H340-T403 VanDerWaalsContact NE2-CB 3.35Å; H340-T403 WeakPolarHBondContact NE2-CB 3.36Å; H340-T403 PolarHBondContact NE2-OG1 3.49Å; F342-T403 WeakPolarHBondContact CB-O 3.4Å; F342-T403 WeakPolarHBondContact O-CB 3.18Å; F342-T403 WeakPolarHBondContact O-CG2 3.48Å; W355-T403 HydrophobicContact CZ3-CG2 3.9Å; R399-T403 PolarHBondContact O-N 2.85Å; D400-T403 PolarHBondContact O-N 2.84Å; D400-T403 PolarHBondContact O-OG1 3.01Å; T403-G407 PolarHBondContact O-N 3.37Å
404	E	97.4	Very high	96.4	Very high	43 Å²	43	25.9 Å²	25.9	20%	0.201	14%	0.142	C	C	.	.	H	α-helix	trans	-68.9	-45.4	177	-66.5	-74.5	159.4	0	0	112.6	Y388 D400 F402 I406 D408 K450 K532	Y388-E404 HydrophobicContact CD1-CB 4.35Å; Y388-E404 HydrophobicContact CE1-CB 4.29Å; D400-E404 VanDerWaalsContact O-CG 3.31Å; D400-E404 WeakPolarHBondContact O-CG 3.29Å; D400-E404 PolarHBondContact O-N 2.94Å; D400-E404 VanDerWaalsContact O-N 3.11Å; F402-E404 VanDerWaalsContact C-N 3.33Å; E404-I406 PolarHBondContact O-N 3.29Å; E404-D408 VanDerWaalsContact O-CB 3.27Å; E404-D408 WeakPolarHBondContact O-CB 3.36Å; E404-D408 PolarHBondContact O-N 3.18Å; E404-K450 IonicContact OE1-NZ 2.91Å; E404-K450 PolarHBondContact OE1-NZ 2.97Å; E404-K532 IonicContact OE2-NZ 3.03Å; E404-K532 PolarHBondContact OE2-NZ 2.86Å
405	V	96.7	Very high	96.4	Very high	1 Å²	1	23.4 Å²	23.4	1%	0.006	13%	0.126	C	C	.	.	H	α-helix	trans	-66	-41.2	-178	71.1	0	0	0	0	112.1	V364 V368 I384 Y388 A401 F402 L409	V364-V405 HydrophobicContact CG1-CG1 4.12Å; V368-V405 HydrophobicContact CG2-CG1 3.99Å; V368-V405 HydrophobicContact CG2-CG2 4.3Å; I384-V405 HydrophobicContact CG2-CG2 3.65Å; Y388-V405 HydrophobicContact CD1-CB 3.53Å; Y388-V405 HydrophobicContact CD1-CG2 4.06Å; Y388-V405 HydrophobicContact CD2-CB 4.18Å; Y388-V405 HydrophobicContact CD2-CG2 3.78Å; Y388-V405 VanDerWaalsContact CE1-CA 3.43Å; Y388-V405 HydrophobicContact CE1-CB 3.82Å; Y388-V405 HydrophobicContact CE1-CG2 4.19Å; Y388-V405 HydrophobicContact CE2-CB 4.41Å; Y388-V405 HydrophobicContact CE2-CG2 3.9Å; Y388-V405 HydrophobicContact CG-CB 3.72Å; Y388-V405 HydrophobicContact CG-CG2 3.85Å; A401-V405 WeakPolarHBondContact O-CB 3.5Å; A401-V405 VanDerWaalsContact O-CG1 3.31Å; A401-V405 WeakPolarHBondContact O-CG1 3.29Å; A401-V405 PolarHBondContact O-N 3.18Å; F402-V405 WeakPolarHBondContact O-CG1 3.39Å; V405-L409 HydrophobicContact CG2-CD1 4.1Å; V405-L409 WeakPolarHBondContact O-CB 3.36Å; V405-L409 VanDerWaalsContact O-CG 3.23Å; V405-L409 WeakPolarHBondContact O-CG 3.4Å; V405-L409 PolarHBondContact O-N 3.02Å
406	I	95.3	Very high	96.4	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-74.3	-40.7	179.8	-58.2	-54	0	0	0	110.8	F342 V367 V368 F371 F402 E404 D408 L409 L410	F342-I406 HydrophobicContact CB-CB 4.36Å; F342-I406 HydrophobicContact CB-CG2 4.42Å; F342-I406 HydrophobicContact CD1-CB 3.72Å; F342-I406 HydrophobicContact CD1-CG1 4.38Å; F342-I406 HydrophobicContact CD1-CG2 3.79Å; F342-I406 HydrophobicContact CD2-CB 4.25Å; F342-I406 HydrophobicContact CD2-CG2 3.5Å; F342-I406 HydrophobicContact CE1-CB 3.98Å; F342-I406 HydrophobicContact CE1-CG1 4.28Å; F342-I406 HydrophobicContact CE1-CG2 3.78Å; F342-I406 HydrophobicContact CE2-CB 4.47Å; F342-I406 HydrophobicContact CE2-CG2 3.48Å; F342-I406 VanDerWaalsContact CE2-CG2 3.48Å; F342-I406 HydrophobicContact CG-CB 3.86Å; F342-I406 HydrophobicContact CG-CG2 3.65Å; F342-I406 HydrophobicContact CZ-CB 4.33Å; F342-I406 HydrophobicContact CZ-CG2 3.61Å; V367-I406 HydrophobicContact CB-CD1 4.5Å; V367-I406 HydrophobicContact CG1-CD1 3.97Å; V367-I406 HydrophobicContact CG1-CG1 4.16Å; V368-I406 HydrophobicContact CB-CD1 4.42Å; V368-I406 HydrophobicContact CG2-CD1 3.6Å; F371-I406 HydrophobicContact CD2-CD1 4.07Å; F371-I406 HydrophobicContact CD2-CG2 3.82Å; F371-I406 HydrophobicContact CE2-CG2 3.8Å; F402-I406 HydrophobicContact CD2-CG1 3.8Å; F402-I406 HydrophobicContact CE2-CG1 3.81Å; F402-I406 WeakPolarHBondContact O-CG1 3.49Å; F402-I406 PolarHBondContact O-N 3.27Å; F402-I406 VanDerWaalsContact O-N 3.17Å; E404-I406 PolarHBondContact O-N 3.29Å; I406-D408 VanDerWaalsContact C-N 3.32Å; I406-D408 PolarHBondContact O-N 3.14Å; I406-L409 PolarHBondContact O-N 3.22Å; I406-L410 HydrophobicContact CG2-CD1 3.54Å; I406-L410 HydrophobicContact CG2-CG 4.03Å; I406-L410 VanDerWaalsContact O-CB 3.29Å; I406-L410 WeakPolarHBondContact O-CB 3.38Å; I406-L410 WeakPolarHBondContact O-CG 3.34Å; I406-L410 PolarHBondContact O-N 3.39Å
407	G	96.4	Very high	96.3	Very high	5 Å²	5	20.5 Å²	20.5	5%	0.052	11%	0.107	C	C	.	.	H	α-helix	trans	-60.3	-41.3	174.6	0	0	0	0	0	112.6	T403 M411 A412	T403-G407 PolarHBondContact O-N 3.37Å; G407-M411 WeakPolarHBondContact O-CB 3.34Å; G407-M411 PolarHBondContact O-N 3.38Å; G407-A412 PolarHBondContact O-N 2.89Å
408	D	96.2	Very high	96.3	Very high	2 Å²	2	17.7 Å²	17.7	1%	0.011	9%	0.092	C	C	.	.	I	π-helix	trans	-67.2	-44.3	177.3	-75.7	-10.1	0	0	0	112	Y388 E404 I406 L413 K532	Y388-D408 WeakPolarHBondContact CE1-OD2 3.49Å; Y388-D408 WeakPolarHBondContact OH-CB 3.28Å; Y388-D408 PolarHBondContact OH-OD2 2.96Å; E404-D408 VanDerWaalsContact O-CB 3.27Å; E404-D408 WeakPolarHBondContact O-CB 3.36Å; E404-D408 PolarHBondContact O-N 3.18Å; I406-D408 VanDerWaalsContact C-N 3.32Å; I406-D408 PolarHBondContact O-N 3.14Å; D408-L413 HydrophobicContact CB-CD1 4.14Å; D408-L413 HydrophobicContact CB-CG 4.19Å; D408-L413 VanDerWaalsContact O-CB 3.27Å; D408-L413 WeakPolarHBondContact O-CB 3.49Å; D408-L413 VanDerWaalsContact O-CG 3.31Å; D408-L413 WeakPolarHBondContact O-CG 3.37Å; D408-L413 PolarHBondContact O-N 3.42Å; D408-K532 WeakPolarHBondContact OD1-CD 3.3Å; D408-K532 WeakPolarHBondContact OD1-CE 3.42Å; D408-K532 IonicContact OD1-NZ 3.21Å; D408-K532 PolarHBondContact OD1-NZ 3.23Å; D408-K532 IonicContact OD2-NZ 3.39Å
409	L	92.8	Very high	96.3	Very high	33 Å²	33	16.1 Å²	16.1	17%	0.173	8%	0.084	C	C	.	.	I	π-helix	trans	-68.8	-36.2	179.8	-72.3	174.8	0	0	0	112.9	V368 N372 V405 I406 L413 P414	V368-L409 HydrophobicContact CG1-CD1 4.16Å; N372-L409 HydrophobicContact CB-CD1 4.43Å; V405-L409 HydrophobicContact CG2-CD1 4.1Å; V405-L409 WeakPolarHBondContact O-CB 3.36Å; V405-L409 VanDerWaalsContact O-CG 3.23Å; V405-L409 WeakPolarHBondContact O-CG 3.4Å; V405-L409 PolarHBondContact O-N 3.02Å; I406-L409 PolarHBondContact O-N 3.22Å; L409-L413 HydrophobicContact CD2-CD1 4.44Å; L409-P414 WeakPolarHBondContact O-CG 3.44Å
410	L	90.6	Very high	96.3	Very high	15 Å²	15	15 Å²	15	8%	0.079	8%	0.08	C	C	.	.	I	π-helix	trans	-83.2	-38.6	-177.5	-73.8	-179.4	0	0	0	113.4	L254 F342 F371 I406	L254-L410 HydrophobicContact CD1-CD2 3.81Å; L254-L410 VanDerWaalsContact CD1-O 3.24Å; L254-L410 WeakPolarHBondContact CD1-O 3.39Å; L254-L410 HydrophobicContact CD2-CD2 4.47Å; F342-L410 HydrophobicContact CD2-CD1 4.09Å; F342-L410 HydrophobicContact CE2-CD1 4.08Å; F371-L410 HydrophobicContact CB-CD2 4.15Å; F371-L410 HydrophobicContact CD1-CD1 4.17Å; F371-L410 HydrophobicContact CD1-CD2 3.5Å; F371-L410 HydrophobicContact CD1-CG 4.25Å; F371-L410 HydrophobicContact CD2-CD1 4.45Å; F371-L410 HydrophobicContact CE1-CD1 3.95Å; F371-L410 HydrophobicContact CE1-CD2 3.94Å; F371-L410 HydrophobicContact CE1-CG 4.5Å; F371-L410 HydrophobicContact CE2-CD1 4.24Å; F371-L410 HydrophobicContact CG-CD1 4.37Å; F371-L410 HydrophobicContact CG-CD2 3.92Å; F371-L410 HydrophobicContact CG-CG 4.31Å; F371-L410 HydrophobicContact CZ-CD1 3.96Å; I406-L410 HydrophobicContact CG2-CD1 3.54Å; I406-L410 HydrophobicContact CG2-CG 4.03Å; I406-L410 VanDerWaalsContact O-CB 3.29Å; I406-L410 WeakPolarHBondContact O-CB 3.38Å; I406-L410 WeakPolarHBondContact O-CG 3.34Å; I406-L410 PolarHBondContact O-N 3.39Å
411	M	94.3	Very high	96.3	Very high	10 Å²	10	13.5 Å²	13.5	5%	0.049	7%	0.07	C	C	.	.	I	π-helix	trans	-124.9	-60.1	-166.3	-57.7	-54.3	178.1	0	0	112.2	V337 E341 L346 G407 T415	V337-M411 HydrophobicContact CG1-CB 4.07Å; E341-M411 HydrophobicContact CB-CB 4.1Å; E341-M411 HydrophobicContact CB-CG 3.91Å; E341-M411 HydrophobicContact CG-CB 3.65Å; E341-M411 HydrophobicContact CG-CG 3.87Å; L346-M411 HydrophobicContact CD1-CE 4.05Å; G407-M411 WeakPolarHBondContact O-CB 3.34Å; G407-M411 PolarHBondContact O-N 3.38Å; M411-T415 VanDerWaalsContact O-CB 3.24Å; M411-T415 WeakPolarHBondContact O-CB 3.31Å; M411-T415 PolarHBondContact O-N 3.36Å; M411-T415 PolarHBondContact O-OG1 3.29Å
412	A	96.9	Very high	96.4	Very high	4 Å²	4	13 Å²	13	3%	0.033	7%	0.066	C	C	.	.	I	π-helix	trans	-67	-51.2	-167.2	0	0	0	0	0	113.1	V337 G407 T415 I416 K532	V337-A412 HydrophobicContact CG2-CB 4.37Å; G407-A412 PolarHBondContact O-N 2.89Å; A412-T415 PolarHBondContact O-N 2.97Å; A412-I416 WeakPolarHBondContact O-CD1 3.41Å; A412-I416 VanDerWaalsContact O-CG1 3.26Å; A412-I416 WeakPolarHBondContact O-CG1 3.46Å; A412-I416 PolarHBondContact O-N 3.37Å; A412-K532 HydrophobicContact CB-CG 4.38Å
413	L	96.2	Very high	96.5	Very high	23 Å²	23	14.5 Å²	14.5	12%	0.12	8%	0.075	C	C	.	.	H	α-helix	trans	-67.5	-45.2	-177.2	-61.3	170.2	0	0	0	112.3	D408 L409 T415 I416 Q417 V536 I539	D408-L413 HydrophobicContact CB-CD1 4.14Å; D408-L413 HydrophobicContact CB-CG 4.19Å; D408-L413 VanDerWaalsContact O-CB 3.27Å; D408-L413 WeakPolarHBondContact O-CB 3.49Å; D408-L413 VanDerWaalsContact O-CG 3.31Å; D408-L413 WeakPolarHBondContact O-CG 3.37Å; D408-L413 PolarHBondContact O-N 3.42Å; L409-L413 HydrophobicContact CD2-CD1 4.44Å; L413-T415 VanDerWaalsContact C-N 3.33Å; L413-T415 PolarHBondContact O-N 3.38Å; L413-I416 PolarHBondContact O-N 2.94Å; L413-Q417 PolarHBondContact O-N 2.61Å; L413-V536 HydrophobicContact CD2-CG2 3.8Å; L413-I539 HydrophobicContact CD1-CG1 3.85Å
414	P	96.2	Very high	96.5	Very high	14 Å²	14	17.6 Å²	17.6	9%	0.091	9%	0.091	C	C	.	.	H	α-helix	trans	-57.6	-43.2	172.2	-26.9	36.7	0	0	0	112.8	V251 L409 I416 Q417 V418	V251-P414 HydrophobicContact CG2-CB 3.64Å; L409-P414 WeakPolarHBondContact O-CG 3.44Å; P414-I416 PolarHBondContact O-N 2.99Å; P414-Q417 WeakPolarHBondContact O-CB 3.35Å; P414-Q417 PolarHBondContact O-N 2.79Å; P414-V418 WeakPolarHBondContact O-CG2 3.48Å; P414-V418 PolarHBondContact O-N 2.99Å
415	T	98	Very high	96.5	Very high	1 Å²	1	16.7 Å²	16.7	1%	0.006	9%	0.091	C	C	.	.	H	α-helix	trans	-64	-43.4	-179.6	-58.1	0	0	0	0	111.8	V251 M335 V337 M411 A412 L413 Q417 V418 A419 M431	V251-T415 HydrophobicContact CG1-CG2 4.44Å; M335-T415 HydrophobicContact CB-CG2 4.21Å; M335-T415 HydrophobicContact CG-CG2 3.95Å; M335-T415 HydrophobicContact SD-CG2 4Å; V337-T415 HydrophobicContact CG1-CG2 4.25Å; M411-T415 VanDerWaalsContact O-CB 3.24Å; M411-T415 WeakPolarHBondContact O-CB 3.31Å; M411-T415 PolarHBondContact O-N 3.36Å; M411-T415 PolarHBondContact O-OG1 3.29Å; A412-T415 PolarHBondContact O-N 2.97Å; L413-T415 VanDerWaalsContact C-N 3.33Å; L413-T415 PolarHBondContact O-N 3.38Å; T415-Q417 VanDerWaalsContact C-N 3.29Å; T415-Q417 PolarHBondContact O-N 3.07Å; T415-V418 PolarHBondContact O-N 3.4Å; T415-A419 WeakPolarHBondContact O-CB 3.29Å; T415-A419 PolarHBondContact O-N 3.1Å; T415-M431 HydrophobicContact CG2-CE 4.2Å
416	I	97.8	Very high	96.5	Very high	13 Å²	13	19.1 Å²	19.1	7%	0.067	12%	0.116	C	C	.	.	H	α-helix	trans	-59.2	-42.1	174.3	-68.1	161.5	0	0	0	110.9	A412 L413 P414 G420 M431 L531 K532 V536	A412-I416 WeakPolarHBondContact O-CD1 3.41Å; A412-I416 VanDerWaalsContact O-CG1 3.26Å; A412-I416 WeakPolarHBondContact O-CG1 3.46Å; A412-I416 PolarHBondContact O-N 3.37Å; L413-I416 PolarHBondContact O-N 2.94Å; P414-I416 PolarHBondContact O-N 2.99Å; I416-G420 PolarHBondContact O-N 3.15Å; I416-M431 HydrophobicContact CB-CE 4.48Å; I416-M431 HydrophobicContact CG1-CE 3.61Å; I416-L531 HydrophobicContact CD1-CB 4.28Å; I416-L531 HydrophobicContact CD1-CD2 4.29Å; I416-L531 HydrophobicContact CD1-CG 4.18Å; I416-L531 WeakPolarHBondContact CD1-O 3.44Å; I416-L531 HydrophobicContact CG1-CD2 4.3Å; I416-K532 HydrophobicContact CD1-CB 4.22Å; I416-V536 HydrophobicContact CD1-CG2 3.7Å; I416-V536 HydrophobicContact CG2-CG2 4.29Å
417	Q	96.5	Very high	96.6	Very high	78 Å²	78	19.5 Å²	19.5	36%	0.364	12%	0.12	S	C	.	.	H	α-helix	trans	-65.3	-45.9	179.6	-170.6	-176.7	8.2	0	0	111.8	L413 P414 T415 G420 Y421	L413-Q417 PolarHBondContact O-N 2.61Å; P414-Q417 WeakPolarHBondContact O-CB 3.35Å; P414-Q417 PolarHBondContact O-N 2.79Å; T415-Q417 VanDerWaalsContact C-N 3.29Å; T415-Q417 PolarHBondContact O-N 3.07Å; Q417-G420 WeakPolarHBondContact O-CA 3.42Å; Q417-G420 PolarHBondContact O-N 3.22Å; Q417-Y421 HydrophobicContact CG-CD2 4.19Å; Q417-Y421 HydrophobicContact CG-CE2 3.57Å; Q417-Y421 PolarHBondContact NE2-OH 3.41Å; Q417-Y421 WeakPolarHBondContact O-CD2 3.3Å; Q417-Y421 PolarHBondContact O-N 2.59Å; Q417-Y421 VanDerWaalsContact O-N 3.08Å
418	V	97.9	Very high	96.7	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-68.2	-39	-179.4	171.2	0	0	0	0	112.1	V251 T253 L323 M335 P414 T415 G420 Y421 H422	V251-V418 HydrophobicContact CB-CB 4.13Å; V251-V418 HydrophobicContact CB-CG1 4.14Å; V251-V418 HydrophobicContact CB-CG2 3.89Å; V251-V418 HydrophobicContact CG1-CB 4.09Å; V251-V418 HydrophobicContact CG1-CG1 3.99Å; V251-V418 HydrophobicContact CG1-CG2 4.41Å; V251-V418 HydrophobicContact CG2-CB 4.22Å; V251-V418 HydrophobicContact CG2-CG2 3.73Å; T253-V418 HydrophobicContact CG2-CG2 3.63Å; T253-V418 VanDerWaalsContact OG1-CG2 3.25Å; T253-V418 WeakPolarHBondContact OG1-CG2 3.14Å; L323-V418 HydrophobicContact CD1-CG2 4.05Å; M335-V418 HydrophobicContact CE-CG1 4.29Å; M335-V418 HydrophobicContact SD-CG1 4.41Å; P414-V418 WeakPolarHBondContact O-CG2 3.48Å; P414-V418 PolarHBondContact O-N 2.99Å; T415-V418 PolarHBondContact O-N 3.4Å; V418-G420 PolarHBondContact O-N 3.15Å; V418-Y421 PolarHBondContact O-N 3.22Å; V418-H422 PolarHBondContact O-CD2 2.7Å; V418-H422 PolarHBondContact O-N 3Å
419	A	98.3	Very high	96.8	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-52.6	-43.5	171.1	0	0	0	0	0	111	M335 T415 T423 V429 M431 Y511	M335-A419 HydrophobicContact CE-CB 4.43Å; M335-A419 HydrophobicContact CG-CB 4.42Å; M335-A419 WeakPolarHBondContact SD-CA 3.3Å; M335-A419 HydrophobicContact SD-CB 3.56Å; M335-A419 VanDerWaalsContact SD-CB 3.56Å; M335-A419 PolarHBondContact SD-N 3.41Å; M335-A419 VanDerWaalsContact SD-N 3.45Å; T415-A419 WeakPolarHBondContact O-CB 3.29Å; T415-A419 PolarHBondContact O-N 3.1Å; A419-T423 WeakPolarHBondContact O-CB 3.43Å; A419-T423 PolarHBondContact O-N 3.22Å; A419-T423 PolarHBondContact O-OG1 2.88Å; A419-V429 HydrophobicContact CB-CG1 4.14Å; A419-M431 HydrophobicContact CB-SD 4.38Å; A419-Y511 HydrophobicContact CB-CD1 4.16Å; A419-Y511 HydrophobicContact CB-CE1 3.99Å
420	G	97.6	Very high	97.1	Very high	0 Å²	0	21 Å²	21	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-61.4	-47.4	174	0	0	0	0	0	114.4	I416 Q417 V418 T423 D424 R513	I416-G420 PolarHBondContact O-N 3.15Å; Q417-G420 WeakPolarHBondContact O-CA 3.42Å; Q417-G420 PolarHBondContact O-N 3.22Å; V418-G420 PolarHBondContact O-N 3.15Å; G420-T423 WeakPolarHBondContact O-CB 3.33Å; G420-T423 PolarHBondContact O-N 3.11Å; G420-D424 PolarHBondContact O-N 3.34Å; G420-R513 VanDerWaalsContact CA-NE 3.31Å; G420-R513 VanDerWaalsContact CA-NH2 3.35Å; G420-R513 PolarHBondContact O-NE 3.47Å; G420-R513 PolarHBondContact O-NH2 3.49Å; G420-R513 VanDerWaalsContact O-NH2 3.12Å
421	Y	97.9	Very high	97.5	Very high	28 Å²	28	20.3 Å²	20.3	11%	0.11	13%	0.125	C	C	.	.	H	α-helix	trans	-63.6	-41.9	-179.7	-69.2	-49.5	0	0	0	112.6	L323 Q324 Q417 V418 T423 D424 A425	L323-Y421 HydrophobicContact CB-CD1 4.46Å; L323-Y421 HydrophobicContact CB-CD2 3.67Å; L323-Y421 HydrophobicContact CB-CE2 4.2Å; L323-Y421 HydrophobicContact CB-CG 3.8Å; L323-Y421 HydrophobicContact CD1-CD2 4.02Å; L323-Y421 HydrophobicContact CG-CD2 4.34Å; Q324-Y421 HydrophobicContact CG-CE1 3.73Å; Q324-Y421 WeakPolarHBondContact CG-OH 3.36Å; Q324-Y421 PolarHBondContact NE2-OH 3.1Å; Q417-Y421 HydrophobicContact CG-CD2 4.19Å; Q417-Y421 HydrophobicContact CG-CE2 3.57Å; Q417-Y421 PolarHBondContact NE2-OH 3.41Å; Q417-Y421 WeakPolarHBondContact O-CD2 3.3Å; Q417-Y421 PolarHBondContact O-N 2.59Å; Q417-Y421 VanDerWaalsContact O-N 3.08Å; V418-Y421 PolarHBondContact O-N 3.22Å; Y421-T423 VanDerWaalsContact C-N 3.33Å; Y421-T423 PolarHBondContact O-N 3.19Å; Y421-D424 PolarHBondContact O-N 3.49Å; Y421-A425 WeakPolarHBondContact O-CB 3.42Å; Y421-A425 PolarHBondContact O-N 3.48Å
422	H	98.4	Very high	97.8	Very high	1 Å²	1	19.8 Å²	19.8	1%	0.005	12%	0.122	C	C	.	.	H	α-helix	trans	-62.6	-40.9	174	-81.2	-86.9	0	0	0	111.6	F247 V328 V418 D424 A425 G426 A427 V429	F247-H422 AromaticContact CE2-NE2 3.77Å; V328-H422 VanDerWaalsContact CG2-CE1 3.5Å; V328-H422 WeakPolarHBondContact CG2-CE1 3.15Å; V418-H422 PolarHBondContact O-CD2 2.7Å; V418-H422 PolarHBondContact O-N 3Å; H422-D424 PolarHBondContact O-N 3.37Å; H422-A425 PolarHBondContact O-N 2.74Å; H422-G426 PolarHBondContact O-N 3.2Å; H422-A427 HydrophobicContact CB-CB 4.21Å; H422-A427 WeakPolarHBondContact O-CB 3.38Å; H422-A427 PolarHBondContact O-N 3.35Å; H422-V429 HydrophobicContact CB-CG2 3.57Å
423	T	97.9	Very high	97.8	Very high	31 Å²	31	20.5 Å²	20.5	19%	0.19	13%	0.125	C	C	.	.	H	α-helix	trans	-60.8	-44.7	174.9	-55.7	0	0	0	0	111.2	A419 G420 Y421 A425 G426 R513	A419-T423 WeakPolarHBondContact O-CB 3.43Å; A419-T423 PolarHBondContact O-N 3.22Å; A419-T423 PolarHBondContact O-OG1 2.88Å; G420-T423 WeakPolarHBondContact O-CB 3.33Å; G420-T423 PolarHBondContact O-N 3.11Å; Y421-T423 VanDerWaalsContact C-N 3.33Å; Y421-T423 PolarHBondContact O-N 3.19Å; T423-A425 PolarHBondContact O-N 3.26Å; T423-G426 WeakPolarHBondContact O-CA 3.36Å; T423-G426 PolarHBondContact O-N 2.59Å; T423-R513 HydrophobicContact CG2-CG 4.27Å
424	D	96.9	Very high	98	Very high	67 Å²	67	19.4 Å²	19.4	36%	0.358	12%	0.119	S	C	.	.	H	α-helix	trans	-67.3	-25.8	179.3	-65.5	-9.4	0	0	0	113	K326 G420 Y421 H422 R513	K326-D424 WeakPolarHBondContact CD-O 3.45Å; K326-D424 VanDerWaalsContact CE-O 3.32Å; K326-D424 WeakPolarHBondContact CE-O 3.48Å; K326-D424 PolarHBondContact NZ-O 3.38Å; G420-D424 PolarHBondContact O-N 3.34Å; Y421-D424 PolarHBondContact O-N 3.49Å; H422-D424 PolarHBondContact O-N 3.37Å; D424-R513 IonicContact OD1-CZ 3.19Å; D424-R513 IonicContact OD1-NE 3.45Å; D424-R513 PolarHBondContact OD1-NE 2.89Å; D424-R513 IonicContact OD1-NH2 3.31Å; D424-R513 IonicContact OD2-CZ 3.73Å; D424-R513 IonicContact OD2-NE 3.68Å; D424-R513 PolarHBondContact OD2-NE 3.44Å; D424-R513 IonicContact OD2-NH2 3.63Å; D424-R513 PolarHBondContact OD2-NH2 3.45Å
425	A	97.2	Very high	98.1	Very high	24 Å²	24	20.2 Å²	20.2	20%	0.198	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.9	-5.1	171.8	0	0	0	0	0	113	K326 V328 Y421 H422 T423	K326-A425 HydrophobicContact CB-CB 4.15Å; K326-A425 HydrophobicContact CG-CB 4.49Å; V328-A425 HydrophobicContact CG1-CB 3.55Å; Y421-A425 WeakPolarHBondContact O-CB 3.42Å; Y421-A425 PolarHBondContact O-N 3.48Å; H422-A425 PolarHBondContact O-N 2.74Å; T423-A425 PolarHBondContact O-N 3.26Å
426	G	97.1	Very high	98.1	Very high	52 Å²	52	20.9 Å²	20.9	54%	0.536	13%	0.126	S	C	.	.	T	Hydrogen-bonded Turn	trans	86.7	16.6	177.6	0	0	0	0	0	114.6	H422 T423	H422-G426 PolarHBondContact O-N 3.2Å; T423-G426 WeakPolarHBondContact O-CA 3.36Å; T423-G426 PolarHBondContact O-N 2.59Å
427	A	97.9	Very high	97.9	Very high	9 Å²	9	23.5 Å²	23.5	7%	0.074	14%	0.143	C	C	.	.			trans	-79.1	142.8	175.7	0	0	0	0	0	111.6	N330 V331 H422 V429	N330-A427 WeakPolarHBondContact OD1-CA 3.23Å; N330-A427 VanDerWaalsContact OD1-CB 3.31Å; N330-A427 WeakPolarHBondContact OD1-CB 3.41Å; N330-A427 PolarHBondContact OD1-N 3.06Å; V331-A427 WeakPolarHBondContact O-CB 3.37Å; H422-A427 HydrophobicContact CB-CB 4.21Å; H422-A427 WeakPolarHBondContact O-CB 3.38Å; H422-A427 PolarHBondContact O-N 3.35Å; A427-V429 HydrophobicContact CB-CG2 4.47Å; A427-V429 PolarHBondContact O-N 3.28Å
428	P	98.6	Very high	97.5	Very high	51 Å²	51	20.5 Å²	20.5	33%	0.331	13%	0.13	S	C	.	.			trans	-65.2	118.4	164.5	-19	32.2	0	0	0	109.8	P332 V333 L510	P332-P428 CarbonylContact C-O 3.52Å; P332-P428 WeakPolarHBondContact CA-O 3.39Å; P332-P428 HydrophobicContact CB-CB 4.24Å; P332-P428 HydrophobicContact CB-CG 4.4Å; P332-P428 HydrophobicContact CG-CG 4.23Å; V333-P428 PolarHBondContact N-O 3.44Å; P428-L510 HydrophobicContact CB-CD2 3.87Å
429	V	98.9	Very high	96.9	Very high	1 Å²	1	27 Å²	27	1%	0.006	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	136.1	-179.6	179.1	0	0	0	0	109.9	V333 M335 A419 H422 A427 L510 Y511	V333-V429 CarbonylContact O-C 3.57Å; V333-V429 VanDerWaalsContact O-CA 3.31Å; V333-V429 WeakPolarHBondContact O-CA 3.26Å; M335-V429 HydrophobicContact CE-CG1 4.24Å; A419-V429 HydrophobicContact CB-CG1 4.14Å; H422-V429 HydrophobicContact CB-CG2 3.57Å; A427-V429 HydrophobicContact CB-CG2 4.47Å; A427-V429 PolarHBondContact O-N 3.28Å; V429-L510 CarbonylContact O-C 3.54Å; V429-L510 WeakPolarHBondContact O-CA 3.2Å; V429-Y511 HydrophobicContact CG1-CD1 4.48Å; V429-Y511 HydrophobicContact CG1-CG 4.33Å; V429-Y511 WeakPolarHBondContact O-CB 3.31Å; V429-Y511 PolarHBondContact O-N 3.21Å
430	Y	98.9	Very high	96.2	Very high	18 Å²	18	29 Å²	29	7%	0.071	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	131.3	169.6	-62.9	-89.3	0	0	0	108.9	V333 M334 M335 F494 G498 S499 P500 W508 P509 L510	V333-Y430 PolarHBondContact O-N 3.37Å; M334-Y430 CarbonylContact C-O 3.57Å; M334-Y430 WeakPolarHBondContact CA-O 3.31Å; M335-Y430 PolarHBondContact N-O 3.44Å; Y430-F494 HydrophobicContact CD2-CD2 4.39Å; Y430-F494 HydrophobicContact CD2-CE2 4.03Å; Y430-F494 HydrophobicContact CE2-CE2 4.41Å; Y430-G498 WeakPolarHBondContact CE2-O 3.43Å; Y430-S499 WeakPolarHBondContact OH-CB 3.41Å; Y430-S499 PolarHBondContact OH-OG 2.86Å; Y430-P500 VanDerWaalsContact CD1-CD 3.49Å; Y430-P500 HydrophobicContact CD1-CG 3.59Å; Y430-P500 HydrophobicContact CD2-CG 4.34Å; Y430-P500 HydrophobicContact CE1-CG 4Å; Y430-P500 HydrophobicContact CG-CG 3.77Å; Y430-W508 AromaticContact CD1-CD1 3.83Å; Y430-W508 HydrophobicContact CD1-CG 4.23Å; Y430-W508 WeakPolarHBondContact CE1-O 3.11Å; Y430-P509 WeakPolarHBondContact CD1-O 3.16Å; Y430-L510 HydrophobicContact CD1-CD2 4.46Å; Y430-L510 HydrophobicContact CD2-CD2 4.34Å; Y430-L510 HydrophobicContact CE1-CD2 3.84Å; Y430-L510 HydrophobicContact CE1-CG 4.19Å; Y430-L510 HydrophobicContact CE2-CD2 3.7Å; Y430-L510 VanDerWaalsContact CZ-CD2 3.42Å
431	M	98.8	Very high	95.3	Very high	1 Å²	1	33.6 Å²	33.6	1%	0.005	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	143.2	-177.7	-163.5	178.2	-177.2	0	0	111.6	M335 T415 I416 A419 W508 Y511 Y518 M519 L531	M335-M431 CarbonylContact O-C 3.51Å; M335-M431 WeakPolarHBondContact O-CA 3.12Å; T415-M431 HydrophobicContact CG2-CE 4.2Å; I416-M431 HydrophobicContact CB-CE 4.48Å; I416-M431 HydrophobicContact CG1-CE 3.61Å; A419-M431 HydrophobicContact CB-SD 4.38Å; M431-W508 PolarHBondContact O-NE1 2.98Å; M431-Y511 HydrophobicContact CB-CD2 3.74Å; M431-Y511 HydrophobicContact CB-CE2 4.42Å; M431-Y511 HydrophobicContact CB-CG 4.4Å; M431-Y511 HydrophobicContact CG-CD2 4.41Å; M431-Y511 HydrophobicContact SD-CD2 3.85Å; M431-Y511 HydrophobicContact SD-CE2 3.54Å; M431-Y511 VanDerWaalsContact SD-CE2 3.54Å; M431-Y518 CarbonylContact O-C 3.49Å; M431-Y518 VanDerWaalsContact O-CA 3.29Å; M431-Y518 WeakPolarHBondContact O-CA 3.34Å; M431-Y518 WeakPolarHBondContact O-CB 3.36Å; M431-M519 PolarHBondContact O-N 3.27Å; M431-L531 HydrophobicContact CE-CD2 3.51Å
432	Y	98.9	Very high	94.6	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	162.6	168.2	68.3	-86	0	0	0	114.7	Q248 M334 M335 G336 V337 F434 D456 W491 W508 M519 L521	Q248-Y432 WeakPolarHBondContact CB-OH 3.35Å; Q248-Y432 VanDerWaalsContact CG-OH 3.27Å; Q248-Y432 WeakPolarHBondContact CG-OH 3.16Å; M334-Y432 HydrophobicContact CG-CD1 4.44Å; M335-Y432 WeakPolarHBondContact O-CD1 3.39Å; M335-Y432 PolarHBondContact O-N 2.84Å; G336-Y432 WeakPolarHBondContact CA-O 3.43Å; V337-Y432 PolarHBondContact N-O 3.14Å; Y432-F434 HydrophobicContact CD2-CB 4.1Å; Y432-F434 HydrophobicContact CE2-CB 3.97Å; Y432-D456 PolarHBondContact OH-OD2 3.3Å; Y432-W491 HydrophobicContact CD1-CH2 4.47Å; Y432-W491 HydrophobicContact CE1-CH2 4.1Å; Y432-W491 AromaticContact CE1-CZ2 3.97Å; Y432-W491 HydrophobicContact CE1-CZ2 3.97Å; Y432-W508 VanDerWaalsContact CB-CZ2 3.48Å; Y432-W508 AromaticContact CD1-CH2 3.9Å; Y432-W508 HydrophobicContact CD1-CH2 3.9Å; Y432-W508 AromaticContact CD1-CZ2 3.93Å; Y432-W508 HydrophobicContact CD1-CZ2 3.93Å; Y432-W508 HydrophobicContact CG-CH2 4.08Å; Y432-W508 HydrophobicContact CG-CZ2 4.12Å; Y432-M519 CarbonylContact C-O 3.57Å; Y432-M519 WeakPolarHBondContact CA-O 3.28Å; Y432-M519 WeakPolarHBondContact CB-O 3.36Å; Y432-L521 HydrophobicContact CD1-CD1 4.41Å; Y432-L521 HydrophobicContact CD2-CD1 3.56Å; Y432-L521 HydrophobicContact CD2-CG 4.44Å; Y432-L521 HydrophobicContact CE2-CD1 4.23Å; Y432-L521 HydrophobicContact CG-CD1 3.67Å
433	E	98.9	Very high	93.8	Very high	19 Å²	19	36.6 Å²	36.6	9%	0.089	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	125.8	158.6	-174.5	-179.4	-155.4	0	0	108.1	V337 N339 V435 Y518 M519 E520 L521 L531	V337-E433 CarbonylContact O-C 3.55Å; V337-E433 VanDerWaalsContact O-CA 3.29Å; V337-E433 WeakPolarHBondContact O-CA 3.49Å; N339-E433 HydrophobicContact CB-CG 4.19Å; N339-E433 WeakPolarHBondContact CB-OE1 3.44Å; E433-V435 HydrophobicContact CG-CG1 3.92Å; E433-Y518 HydrophobicContact CB-CD2 3.93Å; E433-Y518 HydrophobicContact CB-CE2 3.51Å; E433-Y518 PolarHBondContact OE2-OH 3.21Å; E433-M519 PolarHBondContact N-O 3.46Å; E433-E520 CarbonylContact O-C 3.59Å; E433-E520 WeakPolarHBondContact O-CA 3.36Å; E433-L521 PolarHBondContact O-N 3.02Å; E433-L531 HydrophobicContact CB-CD1 4.07Å; E433-L531 HydrophobicContact CG-CD1 4.05Å; E433-L531 WeakPolarHBondContact OE2-CD1 3.45Å
434	F	98.9	Very high	93.1	Very high	0 Å²	0	42 Å²	42	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	124.1	177.4	-178.3	-87.5	0	0	0	110.1	V337 T338 N339 Y432 Y436 A451 D455 D456 F459 F483 M487 L521	V337-F434 PolarHBondContact O-N 3.43Å; T338-F434 CarbonylContact C-O 3.44Å; T338-F434 WeakPolarHBondContact CA-O 2.97Å; T338-F434 HydrophobicContact CG2-CB 4.22Å; T338-F434 HydrophobicContact CG2-CD1 4.18Å; N339-F434 PolarHBondContact N-O 3.16Å; Y432-F434 HydrophobicContact CD2-CB 4.1Å; Y432-F434 HydrophobicContact CE2-CB 3.97Å; F434-Y436 WeakPolarHBondContact CE1-O 3.43Å; F434-A451 HydrophobicContact CD1-CB 3.58Å; F434-A451 HydrophobicContact CE1-CB 3.79Å; F434-D455 HydrophobicContact CD1-CB 4.49Å; F434-D455 HydrophobicContact CE1-CB 3.84Å; F434-D456 HydrophobicContact CB-CB 4.16Å; F434-D456 HydrophobicContact CD1-CB 4.07Å; F434-D456 HydrophobicContact CD2-CB 3.44Å; F434-D456 VanDerWaalsContact CD2-CB 3.44Å; F434-D456 HydrophobicContact CE1-CB 4.33Å; F434-D456 HydrophobicContact CE2-CB 3.68Å; F434-D456 HydrophobicContact CG-CB 3.64Å; F434-D456 HydrophobicContact CZ-CB 4.14Å; F434-F459 HydrophobicContact CE2-CD2 4.22Å; F434-F459 AromaticContact CZ-CD2 3.72Å; F434-F459 HydrophobicContact CZ-CD2 3.72Å; F434-F459 HydrophobicContact CZ-CE2 4.02Å; F434-F483 HydrophobicContact CD2-CE1 4.42Å; F434-F483 HydrophobicContact CD2-CZ 4.13Å; F434-F483 AromaticContact CE2-CE1 3.38Å; F434-F483 HydrophobicContact CE2-CE1 3.38Å; F434-F483 AromaticContact CE2-CZ 3.49Å; F434-F483 HydrophobicContact CE2-CZ 3.49Å; F434-F483 VanDerWaalsContact CE2-CZ 3.49Å; F434-F483 AromaticContact CZ-CE1 3.74Å; F434-F483 HydrophobicContact CZ-CE1 3.74Å; F434-F483 HydrophobicContact CZ-CZ 4.17Å; F434-M487 HydrophobicContact CD2-CE 4.03Å; F434-M487 HydrophobicContact CD2-SD 4.31Å; F434-M487 HydrophobicContact CE2-CE 3.99Å; F434-M487 HydrophobicContact CE2-SD 4.25Å; F434-L521 HydrophobicContact CD2-CB 4.09Å
435	V	98.5	Very high	92.9	Very high	30 Å²	30	40.7 Å²	40.7	18%	0.182	24%	0.242	C	C	.	.			trans	-129.5	-0.2	-172.4	-51.3	0	0	0	0	113.3	N339 E433 E520 L521 G522	N339-V435 HydrophobicContact CB-CG1 3.97Å; N339-V435 WeakPolarHBondContact ND2-CB 3.32Å; E433-V435 HydrophobicContact CG-CG1 3.92Å; V435-E520 HydrophobicContact CB-CG 4.4Å; V435-E520 HydrophobicContact CG1-CG 3.81Å; V435-E520 HydrophobicContact CG2-CG 3.6Å; V435-L521 PolarHBondContact N-O 3Å; V435-G522 VanDerWaalsContact CG2-CA 3.43Å
436	Y	97.6	Very high	92.6	Very high	16 Å²	16	40.9 Å²	40.9	6%	0.063	24%	0.241	C	C	.	.			trans	-71.8	128.8	-178.8	-175.4	-89.7	0	0	0	110.9	F434 A451 F459 D480 F483 L521 Q523	F434-Y436 WeakPolarHBondContact CE1-O 3.43Å; Y436-A451 WeakPolarHBondContact O-CB 3.48Å; Y436-F459 HydrophobicContact CD1-CE1 4.26Å; Y436-F459 AromaticContact CD1-CE2 3.89Å; Y436-F459 HydrophobicContact CD1-CE2 3.89Å; Y436-F459 AromaticContact CD1-CZ 3.63Å; Y436-F459 HydrophobicContact CD1-CZ 3.63Å; Y436-F459 AromaticContact CE1-CE1 3.89Å; Y436-F459 HydrophobicContact CE1-CE1 3.89Å; Y436-F459 HydrophobicContact CE1-CE2 4.19Å; Y436-F459 AromaticContact CE1-CZ 3.46Å; Y436-F459 HydrophobicContact CE1-CZ 3.46Å; Y436-F459 VanDerWaalsContact CE1-CZ 3.46Å; Y436-D480 VanDerWaalsContact CE1-OD1 3.3Å; Y436-D480 WeakPolarHBondContact CE1-OD1 3.45Å; Y436-D480 PolarHBondContact OH-N 3Å; Y436-D480 PolarHBondContact OH-OD1 3.49Å; Y436-F483 VanDerWaalsContact CB-CE1 3.43Å; Y436-F483 VanDerWaalsContact CB-CZ 3.45Å; Y436-F483 AromaticContact CD1-CD1 3.64Å; Y436-F483 HydrophobicContact CD1-CD1 3.64Å; Y436-F483 AromaticContact CD1-CE1 3.71Å; Y436-F483 HydrophobicContact CD1-CE1 3.71Å; Y436-F483 HydrophobicContact CD1-CG 4.4Å; Y436-F483 HydrophobicContact CD2-CB 4.48Å; Y436-F483 AromaticContact CD2-CD1 3.88Å; Y436-F483 HydrophobicContact CD2-CD1 3.88Å; Y436-F483 HydrophobicContact CD2-CD2 4.05Å; Y436-F483 HydrophobicContact CD2-CE1 4.06Å; Y436-F483 HydrophobicContact CD2-CE2 4.24Å; Y436-F483 AromaticContact CD2-CG 3.87Å; Y436-F483 HydrophobicContact CD2-CG 3.87Å; Y436-F483 HydrophobicContact CD2-CZ 4.25Å; Y436-F483 AromaticContact CE1-CD1 3.97Å; Y436-F483 HydrophobicContact CE1-CD1 3.97Å; Y436-F483 HydrophobicContact CE1-CE1 4.49Å; Y436-F483 HydrophobicContact CE2-CB 4.14Å; Y436-F483 HydrophobicContact CE2-CD1 4.19Å; Y436-F483 HydrophobicContact CE2-CD2 4.48Å; Y436-F483 HydrophobicContact CE2-CG 4.02Å; Y436-F483 AromaticContact CG-CD1 3.58Å; Y436-F483 HydrophobicContact CG-CD1 3.58Å; Y436-F483 HydrophobicContact CG-CD2 4.4Å; Y436-F483 AromaticContact CG-CE1 3.45Å; Y436-F483 HydrophobicContact CG-CE1 3.45Å; Y436-F483 VanDerWaalsContact CG-CE1 3.45Å; Y436-F483 HydrophobicContact CG-CE2 4.3Å; Y436-F483 HydrophobicContact CG-CG 4.07Å; Y436-F483 AromaticContact CG-CZ 3.85Å; Y436-F483 HydrophobicContact CG-CZ 3.85Å; Y436-L521 PolarHBondContact N-O 3.48Å; Y436-Q523 HydrophobicContact CD2-CB 4.45Å; Y436-Q523 HydrophobicContact CE2-CB 4.5Å
437	V	93.9	Very high	92.4	Very high	68 Å²	68	44.6 Å²	44.6	41%	0.412	26%	0.259	S	S	.	.			trans	-114.2	126	173.5	-177	0	0	0	0	107.8
438	T	89	Confident	92.2	Very high	15 Å²	15	46.2 Å²	46.2	9%	0.092	26%	0.264	C	S	.	.			trans	-73.8	139.2	178.2	171.3	0	0	0	0	111	R440 D480	T438-R440 HydrophobicContact CG2-CB 4.45Å; T438-R440 PolarHBondContact O-N 2.88Å; T438-R440 VanDerWaalsContact OG1-CB 3.22Å; T438-R440 WeakPolarHBondContact OG1-CB 3.49Å; T438-R440 WeakPolarHBondContact OG1-CG 3.2Å; T438-R440 PolarHBondContact OG1-N 2.71Å; T438-R440 VanDerWaalsContact OG1-N 3.12Å; T438-R440 PolarHBondContact OG1-NE 3.17Å; T438-D480 PolarHBondContact OG1-OD1 2.89Å
439	D	85.1	Confident	92.1	Very high	137 Å²	137	44.4 Å²	44.4	73%	0.733	25%	0.252	S	S	*	.			trans	-77.4	-8.3	172.4	-72.8	-26.9	0	0	0	112.6
440	R	84.2	Confident	92	Very high	42 Å²	42	48.5 Å²	48.5	16%	0.158	27%	0.27	C	S	.	.	S	Bend	trans	-57.1	136.2	174.1	-63.5	178.5	-62.5	128.9	-5.6	111.1	T438 T442 V474 D480	T438-R440 HydrophobicContact CG2-CB 4.45Å; T438-R440 PolarHBondContact O-N 2.88Å; T438-R440 VanDerWaalsContact OG1-CB 3.22Å; T438-R440 WeakPolarHBondContact OG1-CB 3.49Å; T438-R440 WeakPolarHBondContact OG1-CG 3.2Å; T438-R440 PolarHBondContact OG1-N 2.71Å; T438-R440 VanDerWaalsContact OG1-N 3.12Å; T438-R440 PolarHBondContact OG1-NE 3.17Å; R440-T442 PolarHBondContact O-N 2.92Å; R440-V474 HydrophobicContact CB-CG2 4.14Å; R440-V474 HydrophobicContact CG-CG2 4.42Å; R440-D480 WeakPolarHBondContact CG-OD2 3.5Å; R440-D480 IonicContact NE-OD2 2.82Å
441	P	78.7	Confident	91.9	Very high	96 Å²	96	47.6 Å²	47.6	62%	0.623	27%	0.266	S	S	*	.			trans	-59.1	122.4	170.9	-21.9	32.5	0	0	0	110.9
442	T	83	Confident	91.8	Very high	32 Å²	32	47.6 Å²	47.6	20%	0.196	27%	0.266	C	S	.	.			trans	-108.9	107.8	168.9	-50.1	0	0	0	0	108.3	A104 W344 R440 N444 R445	A104-T442 WeakPolarHBondContact O-CG2 3.29Å; W344-T442 HydrophobicContact CH2-CG2 3.63Å; W344-T442 HydrophobicContact CZ3-CG2 3.78Å; R440-T442 PolarHBondContact O-N 2.92Å; T442-N444 PolarHBondContact O-N 3.43Å; T442-R445 HydrophobicContact CG2-CB 3.87Å; T442-R445 PolarHBondContact O-N 3.45Å
443	P	80.6	Confident	91.7	Very high	59 Å²	59	48 Å²	48	38%	0.383	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.2	134.8	-178.9	-25.5	34.4	0	0	0	111.6	S106 R445	S106-P443 WeakPolarHBondContact OG-CD 3.41Å; P443-R445 PolarHBondContact O-N 3.11Å; P443-R445 VanDerWaalsContact O-N 3.1Å
444	N	84.6	Confident	91.5	Very high	145 Å²	145	47.6 Å²	47.6	78%	0.775	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	63	9.4	175.8	-48.6	-46.4	0	0	0	116.2	W344 T442 P446	W344-N444 PolarHBondContact NE1-O 3.01Å; W344-N444 VanDerWaalsContact NE1-O 3.08Å; T442-N444 PolarHBondContact O-N 3.43Å; N444-P446 VanDerWaalsContact O-CD 3.32Å; N444-P446 WeakPolarHBondContact O-CD 3.38Å
445	R	90.8	Very high	91.4	Very high	39 Å²	39	48.5 Å²	48.5	15%	0.147	27%	0.273	C	S	.	.			trans	-80.4	117.5	171	-173.2	172.8	-178.3	151.9	0.9	109.9	W344 T442 P443 V449 K450 D452 D455	W344-R445 HydrophobicContact CD2-CB 4.1Å; W344-R445 HydrophobicContact CD2-CG 3.93Å; W344-R445 HydrophobicContact CE3-CB 4.24Å; W344-R445 HydrophobicContact CE3-CG 3.97Å; W344-R445 HydrophobicContact CG-CG 4.28Å; W344-R445 HydrophobicContact CH2-CB 4.08Å; W344-R445 HydrophobicContact CZ2-CB 3.95Å; W344-R445 HydrophobicContact CZ3-CB 4.23Å; W344-R445 HydrophobicContact CZ3-CG 4.35Å; T442-R445 HydrophobicContact CG2-CB 3.87Å; T442-R445 PolarHBondContact O-N 3.45Å; P443-R445 PolarHBondContact O-N 3.11Å; P443-R445 VanDerWaalsContact O-N 3.1Å; R445-V449 HydrophobicContact CG-CB 4Å; R445-V449 HydrophobicContact CG-CG1 4.2Å; R445-V449 HydrophobicContact CG-CG2 4.13Å; R445-K450 PolarHBondContact NH2-O 3.2Å; R445-D452 VanDerWaalsContact NH2-CB 3.3Å; R445-D455 IonicContact CZ-OD1 3Å; R445-D455 IonicContact CZ-OD2 3.49Å; R445-D455 IonicContact NH1-OD1 3.64Å; R445-D455 PolarHBondContact NH1-OD1 3.23Å; R445-D455 IonicContact NH1-OD2 3.67Å; R445-D455 PolarHBondContact NH1-OD2 3.3Å; R445-D455 VanDerWaalsContact NH1-OD2 3.12Å; R445-D455 IonicContact NH2-OD1 3.6Å; R445-D455 IonicContact NH2-OD2 2.66Å; R445-D455 PolarHBondContact NH2-OD2 3.48Å
446	P	92.6	Very high	91.3	Very high	29 Å²	29	47 Å²	47	19%	0.188	26%	0.264	C	S	.	.			trans	-61.3	150.5	178	-23.7	33.2	0	0	0	112.8	E356 N444 F448 V449	E356-P446 HydrophobicContact CB-CG 4.4Å; N444-P446 VanDerWaalsContact O-CD 3.32Å; N444-P446 WeakPolarHBondContact O-CD 3.38Å; P446-F448 HydrophobicContact CB-CD1 3.6Å; P446-F448 HydrophobicContact CB-CE1 3.21Å; P446-F448 HydrophobicContact CB-CE2 4.22Å; P446-F448 HydrophobicContact CB-CG 4.27Å; P446-F448 HydrophobicContact CB-CZ 3.54Å; P446-F448 HydrophobicContact CG-CE1 3.86Å; P446-F448 HydrophobicContact CG-CZ 3.79Å; P446-F448 PolarHBondContact O-N 3Å; P446-V449 HydrophobicContact CB-CG2 4.03Å; P446-V449 HydrophobicContact CG-CG2 4.25Å; P446-V449 WeakPolarHBondContact O-CB 3.41Å; P446-V449 WeakPolarHBondContact O-CG2 3.44Å; P446-V449 PolarHBondContact O-N 3.09Å
447	S	92.4	Very high	91.3	Very high	129 Å²	129	46.7 Å²	46.7	90%	0.902	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.4	-17.1	-176.5	55.9	0	0	0	0	114.9	V449	S447-V449 VanDerWaalsContact C-N 3.28Å
448	F	94	Very high	91.3	Very high	43 Å²	43	44.8 Å²	44.8	19%	0.189	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.6	-11.2	176.8	62.2	-105.6	0	0	0	113.1	H340 W355 E356 R399 P446	H340-F448 PolarHBondContact CE1-O 2.89Å; W355-F448 AromaticContact CH2-CE2 3.98Å; W355-F448 HydrophobicContact CH2-CE2 3.98Å; W355-F448 AromaticContact CH2-CZ 3.77Å; W355-F448 HydrophobicContact CH2-CZ 3.77Å; W355-F448 AromaticContact CZ3-CE2 3.9Å; W355-F448 HydrophobicContact CZ3-CE2 3.9Å; W355-F448 AromaticContact CZ3-CZ 3.71Å; W355-F448 HydrophobicContact CZ3-CZ 3.71Å; E356-F448 HydrophobicContact CB-CE1 4.34Å; E356-F448 HydrophobicContact CB-CZ 4.21Å; R399-F448 VanDerWaalsContact CZ-CD1 3.47Å; P446-F448 HydrophobicContact CB-CD1 3.6Å; P446-F448 HydrophobicContact CB-CE1 3.21Å; P446-F448 HydrophobicContact CB-CE2 4.22Å; P446-F448 HydrophobicContact CB-CG 4.27Å; P446-F448 HydrophobicContact CB-CZ 3.54Å; P446-F448 HydrophobicContact CG-CE1 3.86Å; P446-F448 HydrophobicContact CG-CZ 3.79Å; P446-F448 PolarHBondContact O-N 3Å
449	V	95.8	Very high	91.7	Very high	13 Å²	13	44.5 Å²	44.5	8%	0.079	26%	0.255	C	S	.	.			trans	-73.4	132.4	-177.1	-173.8	0	0	0	0	109	W344 R445 P446 S447 D452	W344-V449 HydrophobicContact CB-CB 4.46Å; W344-V449 HydrophobicContact CB-CG1 3.83Å; W344-V449 HydrophobicContact CB-CG2 3.76Å; W344-V449 HydrophobicContact CG-CG2 4.4Å; R445-V449 HydrophobicContact CG-CB 4Å; R445-V449 HydrophobicContact CG-CG1 4.2Å; R445-V449 HydrophobicContact CG-CG2 4.13Å; P446-V449 HydrophobicContact CB-CG2 4.03Å; P446-V449 HydrophobicContact CG-CG2 4.25Å; P446-V449 WeakPolarHBondContact O-CB 3.41Å; P446-V449 WeakPolarHBondContact O-CG2 3.44Å; P446-V449 PolarHBondContact O-N 3.09Å; S447-V449 VanDerWaalsContact C-N 3.28Å; V449-D452 HydrophobicContact CG1-CB 3.85Å
450	K	96.3	Very high	92.3	Very high	87 Å²	87	38 Å²	38	38%	0.378	22%	0.221	S	C	.	.			trans	-97.5	-137.2	178	-49.8	166.2	-170.1	155.2	0	107.7	N339 H340 E404 R445 D452	N339-K450 VanDerWaalsContact OD1-CB 3.32Å; N339-K450 WeakPolarHBondContact OD1-CB 3.44Å; H340-K450 HydrophobicContact CB-CB 3.83Å; H340-K450 HydrophobicContact CB-CD 4.37Å; H340-K450 HydrophobicContact CB-CG 4.38Å; H340-K450 PolarHBondContact ND1-N 2.95Å; E404-K450 IonicContact OE1-NZ 2.91Å; E404-K450 PolarHBondContact OE1-NZ 2.97Å; R445-K450 PolarHBondContact NH2-O 3.2Å; K450-D452 PolarHBondContact O-N 3.22Å
451	A	96.8	Very high	92.9	Very high	0 Å²	0	36 Å²	36	0%	0	21%	0.213	C	C	.	.	S	Bend	trans	-77.4	112.1	169.4	0	0	0	0	0	109.3	T338 N339 H340 F434 Y436	T338-A451 WeakPolarHBondContact CB-O 3.34Å; T338-A451 PolarHBondContact OG1-O 3.22Å; N339-A451 WeakPolarHBondContact OD1-CB 3.26Å; N339-A451 PolarHBondContact OD1-N 2.56Å; N339-A451 PolarHBondContact OD1-O 2.82Å; H340-A451 CarbonylContact C-O 3.55Å; H340-A451 WeakPolarHBondContact CA-O 3.24Å; H340-A451 VanDerWaalsContact CB-O 3.29Å; H340-A451 WeakPolarHBondContact CB-O 3.35Å; H340-A451 PolarHBondContact N-O 3.39Å; F434-A451 HydrophobicContact CD1-CB 3.58Å; F434-A451 HydrophobicContact CE1-CB 3.79Å; Y436-A451 WeakPolarHBondContact O-CB 3.48Å
452	D	96.6	Very high	93.8	Very high	1 Å²	1	31.5 Å²	31.5	1%	0.005	18%	0.184	C	C	.	.	B	Isolated β-bridge	trans	-88.3	170.9	-172.6	-168.3	42.2	0	0	0	111.1	T338 H340 G343 W344 I345 R445 V449 K450 A454 D455	T338-D452 VanDerWaalsContact CG2-O 3.28Å; T338-D452 WeakPolarHBondContact CG2-O 3.44Å; T338-D452 PolarHBondContact OG1-O 3.04Å; H340-D452 WeakPolarHBondContact O-CA 3.23Å; H340-D452 VanDerWaalsContact O-OD1 3.06Å; G343-D452 WeakPolarHBondContact CA-OD1 2.96Å; G343-D452 PolarHBondContact N-OD1 3.48Å; G343-D452 VanDerWaalsContact N-OD1 3.08Å; W344-D452 WeakPolarHBondContact CB-OD2 3.34Å; W344-D452 PolarHBondContact N-OD1 3.37Å; I345-D452 WeakPolarHBondContact CB-OD2 3.36Å; I345-D452 PolarHBondContact N-OD2 3Å; R445-D452 VanDerWaalsContact NH2-CB 3.3Å; V449-D452 HydrophobicContact CG1-CB 3.85Å; K450-D452 PolarHBondContact O-N 3.22Å; D452-A454 PolarHBondContact O-N 3.09Å; D452-D455 PolarHBondContact N-OD2 3.44Å; D452-D455 WeakPolarHBondContact O-CB 3.32Å; D452-D455 PolarHBondContact O-N 3.41Å
453	H	97.2	Very high	94.3	Very high	8 Å²	8	30.3 Å²	30.3	4%	0.037	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-48.2	136.2	175	-162.3	56.3	0	0	0	112	E222 S223 E341 I345 L346 D455	E222-H453 IonicContact OE1-CD2 2.75Å; E222-H453 PolarHBondContact OE1-CD2 3.16Å; E222-H453 IonicContact OE1-CE1 3.6Å; E222-H453 PolarHBondContact OE1-CE1 3.47Å; E222-H453 VanDerWaalsContact OE1-CE1 3.31Å; E222-H453 IonicContact OE1-CG 3.25Å; E222-H453 IonicContact OE1-ND1 3.3Å; E222-H453 IonicContact OE1-NE2 3.92Å; E222-H453 PolarHBondContact OE1-NE2 2.93Å; S223-H453 WeakPolarHBondContact CB-NE2 3.44Å; S223-H453 PolarHBondContact OG-NE2 3.4Å; E341-H453 WeakPolarHBondContact O-CB 3.19Å; E341-H453 IonicContact OE2-CE1 3.39Å; E341-H453 IonicContact OE2-CG 2.91Å; E341-H453 IonicContact OE2-ND1 2.81Å; E341-H453 PolarHBondContact OE2-ND1 3.27Å; I345-H453 HydrophobicContact CG2-CB 3.75Å; L346-H453 HydrophobicContact CD1-CB 4.28Å; L346-H453 HydrophobicContact CG-CB 4.09Å; H453-D455 PolarHBondContact O-N 3.37Å; H453-D455 VanDerWaalsContact O-N 3.16Å
454	A	95.4	Very high	94.9	Very high	11 Å²	11	28.3 Å²	28.3	9%	0.091	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	64.8	1.2	179.8	0	0	0	0	0	117.3	E222 D452 D456 V457	E222-A454 HydrophobicContact CG-CB 4.22Å; E222-A454 WeakPolarHBondContact OE1-CB 3.26Å; D452-A454 PolarHBondContact O-N 3.09Å; A454-D456 PolarHBondContact O-N 3.41Å; A454-D456 VanDerWaalsContact O-N 3.16Å; A454-V457 HydrophobicContact CB-CG2 4.22Å; A454-V457 WeakPolarHBondContact O-CB 3.42Å; A454-V457 PolarHBondContact O-N 3.33Å; A454-V457 VanDerWaalsContact O-N 3.1Å
455	D	95.5	Very high	95.4	Very high	18 Å²	18	21.5 Å²	21.5	10%	0.096	13%	0.128	C	C	.	.	H	α-helix	trans	-58.7	-30.7	-179.9	-88.2	-19.7	0	0	0	112.4	F434 R445 D452 H453 V457 F459	F434-D455 HydrophobicContact CD1-CB 4.49Å; F434-D455 HydrophobicContact CE1-CB 3.84Å; R445-D455 IonicContact CZ-OD1 3Å; R445-D455 IonicContact CZ-OD2 3.49Å; R445-D455 IonicContact NH1-OD1 3.64Å; R445-D455 PolarHBondContact NH1-OD1 3.23Å; R445-D455 IonicContact NH1-OD2 3.67Å; R445-D455 PolarHBondContact NH1-OD2 3.3Å; R445-D455 VanDerWaalsContact NH1-OD2 3.12Å; R445-D455 IonicContact NH2-OD1 3.6Å; R445-D455 IonicContact NH2-OD2 2.66Å; R445-D455 PolarHBondContact NH2-OD2 3.48Å; D452-D455 PolarHBondContact N-OD2 3.44Å; D452-D455 WeakPolarHBondContact O-CB 3.32Å; D452-D455 PolarHBondContact O-N 3.41Å; H453-D455 PolarHBondContact O-N 3.37Å; H453-D455 VanDerWaalsContact O-N 3.16Å; D455-V457 VanDerWaalsContact C-N 3.35Å; D455-F459 VanDerWaalsContact O-CD2 3.27Å; D455-F459 WeakPolarHBondContact O-CD2 3.49Å
456	D	97.1	Very high	95.5	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-69.6	-28.4	179.4	65.1	-24.3	0	0	0	113.4	Q248 Y432 F434 A454 G458 F459 M460 M487	Q248-D456 VanDerWaalsContact NE2-CG 3.32Å; Q248-D456 PolarHBondContact NE2-OD2 3.49Å; Y432-D456 PolarHBondContact OH-OD2 3.3Å; F434-D456 HydrophobicContact CB-CB 4.16Å; F434-D456 HydrophobicContact CD1-CB 4.07Å; F434-D456 HydrophobicContact CD2-CB 3.44Å; F434-D456 VanDerWaalsContact CD2-CB 3.44Å; F434-D456 HydrophobicContact CE1-CB 4.33Å; F434-D456 HydrophobicContact CE2-CB 3.68Å; F434-D456 HydrophobicContact CG-CB 3.64Å; F434-D456 HydrophobicContact CZ-CB 4.14Å; A454-D456 PolarHBondContact O-N 3.41Å; A454-D456 VanDerWaalsContact O-N 3.16Å; D456-G458 PolarHBondContact O-N 2.85Å; D456-F459 PolarHBondContact O-N 3.4Å; D456-M460 PolarHBondContact O-N 3.22Å; D456-M487 HydrophobicContact CB-CE 3.98Å
457	V	97	Very high	95.3	Very high	9 Å²	9	21.7 Å²	21.7	6%	0.055	13%	0.129	C	C	.	.	H	α-helix	trans	-62.2	-43.6	-178.3	-178.8	0	0	0	0	111.8	W140 Y154 E222 A454 D455 F459 M460 F461	W140-V457 HydrophobicContact CH2-CG1 4.01Å; W140-V457 HydrophobicContact CH2-CG2 4.17Å; W140-V457 HydrophobicContact CZ2-CG1 3.83Å; W140-V457 HydrophobicContact CZ2-CG2 4.44Å; Y154-V457 HydrophobicContact CD1-CG1 4.23Å; Y154-V457 HydrophobicContact CE1-CG1 3.83Å; E222-V457 HydrophobicContact CB-CG2 3.56Å; E222-V457 HydrophobicContact CG-CG2 3.44Å; E222-V457 VanDerWaalsContact CG-CG2 3.44Å; A454-V457 HydrophobicContact CB-CG2 4.22Å; A454-V457 WeakPolarHBondContact O-CB 3.42Å; A454-V457 PolarHBondContact O-N 3.33Å; A454-V457 VanDerWaalsContact O-N 3.1Å; D455-V457 VanDerWaalsContact C-N 3.35Å; V457-F459 VanDerWaalsContact C-N 3.29Å; V457-F459 PolarHBondContact O-N 3.25Å; V457-M460 PolarHBondContact O-N 3.08Å; V457-F461 HydrophobicContact CG1-CD2 3.66Å; V457-F461 HydrophobicContact CG1-CE2 3.92Å; V457-F461 PolarHBondContact O-N 3.25Å
458	G	94.5	Very high	95	Very high	28 Å²	28	16.7 Å²	16.7	29%	0.289	10%	0.098	S	C	.	.	H	α-helix	trans	-61.4	-38.9	179.1	0	0	0	0	0	112.1	D456 G462 A463	D456-G458 PolarHBondContact O-N 2.85Å; G458-G462 PolarHBondContact O-N 3.32Å; G458-A463 WeakPolarHBondContact O-CB 3.35Å; G458-A463 PolarHBondContact O-N 3.44Å
459	F	97.1	Very high	94.6	Very high	9 Å²	9	16.9 Å²	16.9	4%	0.039	10%	0.099	C	C	.	.	H	α-helix	trans	-71.6	-39.2	176.4	-68.4	-77.8	0	0	0	112.3	F434 Y436 D455 D456 V457 G462 D480 F483 S484 M487	F434-F459 HydrophobicContact CE2-CD2 4.22Å; F434-F459 AromaticContact CZ-CD2 3.72Å; F434-F459 HydrophobicContact CZ-CD2 3.72Å; F434-F459 HydrophobicContact CZ-CE2 4.02Å; Y436-F459 HydrophobicContact CD1-CE1 4.26Å; Y436-F459 AromaticContact CD1-CE2 3.89Å; Y436-F459 HydrophobicContact CD1-CE2 3.89Å; Y436-F459 AromaticContact CD1-CZ 3.63Å; Y436-F459 HydrophobicContact CD1-CZ 3.63Å; Y436-F459 AromaticContact CE1-CE1 3.89Å; Y436-F459 HydrophobicContact CE1-CE1 3.89Å; Y436-F459 HydrophobicContact CE1-CE2 4.19Å; Y436-F459 AromaticContact CE1-CZ 3.46Å; Y436-F459 HydrophobicContact CE1-CZ 3.46Å; Y436-F459 VanDerWaalsContact CE1-CZ 3.46Å; D455-F459 VanDerWaalsContact O-CD2 3.27Å; D455-F459 WeakPolarHBondContact O-CD2 3.49Å; D456-F459 PolarHBondContact O-N 3.4Å; V457-F459 VanDerWaalsContact C-N 3.29Å; V457-F459 PolarHBondContact O-N 3.25Å; F459-G462 PolarHBondContact O-N 3.28Å; F459-D480 HydrophobicContact CE1-CB 4.06Å; F459-F483 HydrophobicContact CB-CD1 4.42Å; F459-F483 HydrophobicContact CB-CE1 4.35Å; F459-F483 AromaticContact CD1-CD1 3.58Å; F459-F483 HydrophobicContact CD1-CD1 3.58Å; F459-F483 HydrophobicContact CD1-CE1 4.17Å; F459-F483 HydrophobicContact CD2-CD1 4.29Å; F459-F483 HydrophobicContact CD2-CE1 4.09Å; F459-F483 AromaticContact CE1-CD1 3.84Å; F459-F483 HydrophobicContact CE1-CD1 3.84Å; F459-F483 HydrophobicContact CE2-CE1 4.47Å; F459-F483 AromaticContact CG-CD1 3.84Å; F459-F483 HydrophobicContact CG-CD1 3.84Å; F459-F483 AromaticContact CG-CE1 3.94Å; F459-F483 HydrophobicContact CG-CE1 3.94Å; F459-F483 HydrophobicContact CZ-CD1 4.31Å; F459-S484 PolarHBondContact O-OG 3.01Å; F459-M487 HydrophobicContact CB-CB 4.1Å; F459-M487 HydrophobicContact CB-CG 3.88Å
460	M	97.8	Very high	94.4	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-62.1	-42.1	175	-176.3	-150.9	66.7	0	0	112.1	W140 Q248 D456 V457 G462 M488 W491	W140-M460 HydrophobicContact CE3-CE 3.93Å; W140-M460 HydrophobicContact CH2-CE 4.05Å; W140-M460 HydrophobicContact CZ3-CE 3.61Å; W140-M460 HydrophobicContact CZ3-SD 4Å; Q248-M460 PolarHBondContact OE1-SD 2.95Å; D456-M460 PolarHBondContact O-N 3.22Å; V457-M460 PolarHBondContact O-N 3.08Å; M460-G462 PolarHBondContact O-N 3.27Å; M460-M488 WeakPolarHBondContact O-CG 3.34Å; M460-W491 HydrophobicContact CG-CB 4.11Å; M460-W491 VanDerWaalsContact CG-CD1 3.42Å; M460-W491 HydrophobicContact CG-CD2 3.93Å; M460-W491 HydrophobicContact CG-CG 3.58Å; M460-W491 HydrophobicContact SD-CG 3.99Å; M460-W491 PolarHBondContact SD-NE1 3.01Å
461	F	97.8	Very high	94.1	Very high	1 Å²	1	17.2 Å²	17.2	0%	0.004	10%	0.097	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.1	-4.1	177.8	-88	-73.8	0	0	0	114.1	W140 Y154 S158 T167 I169 V457 W466	W140-F461 HydrophobicContact CB-CZ 4.09Å; W140-F461 AromaticContact CD1-CZ 3.92Å; W140-F461 AromaticContact CD2-CE2 3.68Å; W140-F461 HydrophobicContact CD2-CE2 3.68Å; W140-F461 AromaticContact CD2-CZ 3.58Å; W140-F461 HydrophobicContact CD2-CZ 3.58Å; W140-F461 AromaticContact CE2-CE2 3.58Å; W140-F461 AromaticContact CE2-CZ 3.89Å; W140-F461 HydrophobicContact CE3-CE2 4.03Å; W140-F461 HydrophobicContact CE3-CZ 4.05Å; W140-F461 HydrophobicContact CG-CE2 4.13Å; W140-F461 AromaticContact CG-CZ 3.59Å; W140-F461 HydrophobicContact CG-CZ 3.59Å; W140-F461 HydrophobicContact CH2-CE2 4.17Å; W140-F461 AromaticContact CZ2-CE2 3.85Å; W140-F461 HydrophobicContact CZ2-CE2 3.85Å; W140-F461 HydrophobicContact CZ3-CE2 4.27Å; W140-F461 AromaticContact NE1-CE2 3.94Å; Y154-F461 AromaticContact CD1-CD2 3.86Å; Y154-F461 HydrophobicContact CD1-CD2 3.86Å; Y154-F461 AromaticContact CD1-CE2 3.5Å; Y154-F461 HydrophobicContact CD1-CE2 3.5Å; Y154-F461 VanDerWaalsContact CD1-CE2 3.5Å; Y154-F461 HydrophobicContact CD1-CZ 4.08Å; Y154-F461 HydrophobicContact CE1-CE2 4.21Å; Y154-F461 HydrophobicContact CG-CE2 4.12Å; Y154-F461 HydrophobicContact CG-CZ 4.24Å; S158-F461 WeakPolarHBondContact CB-O 3.35Å; T167-F461 HydrophobicContact CG2-CE1 4.43Å; I169-F461 HydrophobicContact CD1-CE1 3.99Å; I169-F461 HydrophobicContact CD1-CZ 4.43Å; V457-F461 HydrophobicContact CG1-CD2 3.66Å; V457-F461 HydrophobicContact CG1-CE2 3.92Å; V457-F461 PolarHBondContact O-N 3.25Å; F461-W466 HydrophobicContact CB-CZ2 3.67Å; F461-W466 HydrophobicContact CG-CZ2 4.35Å; F461-W466 PolarHBondContact O-NE1 3Å
462	G	96.6	Very high	93.7	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	11%	0.105	C	C	.	.	T	Hydrogen-bonded Turn	trans	68.8	42.8	-176.9	0	0	0	0	0	112.8	S158 G458 F459 M460 C464 F465 W466 S484	S158-G462 PolarHBondContact OG-O 3.36Å; S158-G462 VanDerWaalsContact OG-O 3.11Å; G458-G462 PolarHBondContact O-N 3.32Å; F459-G462 PolarHBondContact O-N 3.28Å; M460-G462 PolarHBondContact O-N 3.27Å; G462-C464 PolarHBondContact O-N 3.23Å; G462-F465 WeakPolarHBondContact O-CA 3.47Å; G462-F465 WeakPolarHBondContact O-CB 3.42Å; G462-F465 PolarHBondContact O-N 3.34Å; G462-W466 PolarHBondContact O-N 2.97Å; G462-S484 WeakPolarHBondContact CA-OG 3.49Å
463	A	94.4	Very high	93.1	Very high	8 Å²	8	23.6 Å²	23.6	7%	0.066	13%	0.131	C	C	.	.	G	3₁₀ helix	trans	-57.5	-31.8	-174.2	0	0	0	0	0	113.6	G458 F465 W466 I472	G458-A463 WeakPolarHBondContact O-CB 3.35Å; G458-A463 PolarHBondContact O-N 3.44Å; A463-F465 PolarHBondContact O-N 3.39Å; A463-W466 VanDerWaalsContact CA-CD2 3.5Å; A463-W466 HydrophobicContact CB-CD2 3.99Å; A463-W466 HydrophobicContact CB-CE3 3.85Å; A463-W466 HydrophobicContact CB-CH2 4.01Å; A463-W466 HydrophobicContact CB-CZ2 4.13Å; A463-W466 HydrophobicContact CB-CZ3 3.85Å; A463-W466 WeakPolarHBondContact O-CB 3.21Å; A463-W466 PolarHBondContact O-N 2.98Å; A463-I472 HydrophobicContact CB-CD1 4.15Å; A463-I472 HydrophobicContact CB-CG1 3.94Å
464	C	93.3	Very high	92.5	Very high	17 Å²	17	25 Å²	25	12%	0.115	14%	0.14	C	C	.	.	G	3₁₀ helix	trans	-61.4	-24.7	172.9	-67.8	0	0	0	0	113.9	G462 C476 E481	G462-C464 PolarHBondContact O-N 3.23Å; C464-C476 WeakPolarHBondContact CA-SG 3.48Å; C464-C476 HydrophobicContact CB-CB 3.55Å; C464-C476 WeakPolarHBondContact CB-SG 3.47Å; C464-C476 WeakPolarHBondContact SG-CB 3.44Å; C464-C476 CovalentContact SG-SG 2.03Å; C464-C476 PolarHBondContact SG-SG 2.87Å; C464-E481 HydrophobicContact CB-CG 4.16Å
465	F	95.3	Very high	92	Very high	2 Å²	2	31.9 Å²	31.9	1%	0.009	18%	0.175	C	C	.	.	G	3₁₀ helix	trans	-99.4	-2.3	-177.5	-50.4	-63.4	0	0	0	113.3	V44 K45 S158 Y162 G462 A463 E481 R485 M488	V44-F465 HydrophobicContact CG1-CB 4.01Å; K45-F465 HydrophobicContact CB-CB 4.38Å; K45-F465 HydrophobicContact CB-CD1 4.48Å; K45-F465 PolarHBondContact N-O 3.17Å; K45-F465 WeakPolarHBondContact O-CD1 3.37Å; S158-F465 WeakPolarHBondContact OG-CB 3.37Å; Y162-F465 HydrophobicContact CD2-CD2 4.45Å; Y162-F465 HydrophobicContact CE2-CB 4.16Å; Y162-F465 HydrophobicContact CE2-CD1 4.39Å; Y162-F465 AromaticContact CE2-CD2 3.82Å; Y162-F465 HydrophobicContact CE2-CD2 3.82Å; Y162-F465 HydrophobicContact CE2-CE2 4.35Å; Y162-F465 AromaticContact CE2-CG 3.84Å; Y162-F465 HydrophobicContact CE2-CG 3.84Å; G462-F465 WeakPolarHBondContact O-CA 3.47Å; G462-F465 WeakPolarHBondContact O-CB 3.42Å; G462-F465 PolarHBondContact O-N 3.34Å; A463-F465 PolarHBondContact O-N 3.39Å; F465-E481 HydrophobicContact CE1-CB 4.02Å; F465-E481 HydrophobicContact CE1-CG 3.73Å; F465-E481 HydrophobicContact CZ-CB 3.76Å; F465-E481 HydrophobicContact CZ-CG 3.92Å; F465-R485 HydrophobicContact CE2-CG 4.06Å; F465-R485 HydrophobicContact CZ-CG 3.95Å; F465-R485 VanDerWaalsContact CZ-CZ 3.48Å; F465-M488 HydrophobicContact CD2-CE 3.79Å; F465-M488 HydrophobicContact CE2-CE 3.65Å
466	W	92.9	Very high	91.8	Very high	12 Å²	12	32.3 Å²	32.3	5%	0.045	18%	0.179	C	C	.	.			trans	-61.7	138	177	-68.2	-17.8	0	0	0	111.7	K45 M107 D155 F461 G462 A463 I470 I472	K45-W466 PolarHBondContact NZ-O 3.32Å; M107-W466 HydrophobicContact CE-CZ3 4.24Å; D155-W466 HydrophobicContact CB-CD2 4.27Å; D155-W466 HydrophobicContact CB-CG 4.21Å; D155-W466 HydrophobicContact CB-CZ2 4.49Å; D155-W466 PolarHBondContact O-NE1 3.36Å; F461-W466 HydrophobicContact CB-CZ2 3.67Å; F461-W466 HydrophobicContact CG-CZ2 4.35Å; F461-W466 PolarHBondContact O-NE1 3Å; G462-W466 PolarHBondContact O-N 2.97Å; A463-W466 VanDerWaalsContact CA-CD2 3.5Å; A463-W466 HydrophobicContact CB-CD2 3.99Å; A463-W466 HydrophobicContact CB-CE3 3.85Å; A463-W466 HydrophobicContact CB-CH2 4.01Å; A463-W466 HydrophobicContact CB-CZ2 4.13Å; A463-W466 HydrophobicContact CB-CZ3 3.85Å; A463-W466 WeakPolarHBondContact O-CB 3.21Å; A463-W466 PolarHBondContact O-N 2.98Å; W466-I470 WeakPolarHBondContact CB-O 3.41Å; W466-I470 HydrophobicContact CD2-CG2 4.06Å; W466-I470 HydrophobicContact CE3-CB 4.49Å; W466-I470 HydrophobicContact CE3-CG1 4.04Å; W466-I470 HydrophobicContact CE3-CG2 3.87Å; W466-I470 HydrophobicContact CH2-CD1 4.4Å; W466-I470 HydrophobicContact CZ3-CD1 4.01Å; W466-I470 HydrophobicContact CZ3-CG1 3.86Å; W466-I470 HydrophobicContact CZ3-CG2 4.16Å; W466-I472 HydrophobicContact CZ3-CD1 4.33Å
467	N	87.5	Confident	91.6	Very high	59 Å²	59	34.2 Å²	34.2	32%	0.316	19%	0.191	S	C	.	.			trans	-141.2	8.3	-178.4	-160.7	33.6	0	0	0	112.5	K45 R471	K45-N467 HydrophobicContact CD-CB 4.49Å; K45-N467 WeakPolarHBondContact CE-OD1 3.39Å; K45-N467 HydrophobicContact CG-CB 4.23Å; N467-R471 PolarHBondContact O-NE 3Å; N467-R471 PolarHBondContact O-NH2 3.35Å
468	G	85.3	Confident	91.5	Very high	24 Å²	24	39 Å²	39	25%	0.247	22%	0.22	C	C	.	.	S	Bend	trans	-101.5	-139.6	-171.3	0	0	0	0	0	113.2	I470 R471	G468-I470 PolarHBondContact O-N 3Å; G468-R471 PolarHBondContact O-NE 3.04Å; G468-R471 VanDerWaalsContact O-NE 3.08Å
469	H	87.6	Confident	91.5	Very high	47 Å²	47	42.3 Å²	42.3	22%	0.218	23%	0.228	C	C	.	.	S	Bend	trans	-66.4	-15.3	179.8	69.6	-71.3	0	0	0	114.2	Q87 S152 D155	Q87-H469 PolarHBondContact NE2-CD2 3.36Å; Q87-H469 PolarHBondContact NE2-CE1 3.23Å; Q87-H469 PolarHBondContact NE2-NE2 3.01Å; S152-H469 PolarHBondContact O-NE2 3.28Å; S152-H469 VanDerWaalsContact O-NE2 3.11Å; D155-H469 IonicContact OD2-CE1 2.7Å; D155-H469 IonicContact OD2-ND1 3.25Å; D155-H469 PolarHBondContact OD2-ND1 3.01Å
470	I	90.3	Very high	91.4	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	138.7	176.5	-171.9	161.1	0	0	0	109	M107 D108 F109 Q153 D155 W466 G468	M107-I470 HydrophobicContact CE-CD1 3.16Å; M107-I470 HydrophobicContact CE-CG1 3.99Å; D108-I470 CarbonylContact O-C 3.57Å; D108-I470 VanDerWaalsContact O-CA 3.29Å; D108-I470 WeakPolarHBondContact O-CA 3.45Å; F109-I470 HydrophobicContact CB-CD1 4.13Å; F109-I470 HydrophobicContact CB-CG1 4.03Å; F109-I470 HydrophobicContact CD2-CB 4.19Å; F109-I470 HydrophobicContact CD2-CD1 4.09Å; F109-I470 HydrophobicContact CD2-CG1 4.34Å; F109-I470 HydrophobicContact CG-CD1 4.17Å; F109-I470 HydrophobicContact CG-CG1 4.47Å; Q153-I470 VanDerWaalsContact O-CD1 3.26Å; Q153-I470 WeakPolarHBondContact O-CD1 3.42Å; D155-I470 HydrophobicContact CB-CG2 3.55Å; W466-I470 WeakPolarHBondContact CB-O 3.41Å; W466-I470 HydrophobicContact CD2-CG2 4.06Å; W466-I470 HydrophobicContact CE3-CB 4.49Å; W466-I470 HydrophobicContact CE3-CG1 4.04Å; W466-I470 HydrophobicContact CE3-CG2 3.87Å; W466-I470 HydrophobicContact CH2-CD1 4.4Å; W466-I470 HydrophobicContact CZ3-CD1 4.01Å; W466-I470 HydrophobicContact CZ3-CG1 3.86Å; W466-I470 HydrophobicContact CZ3-CG2 4.16Å; G468-I470 PolarHBondContact O-N 3Å
471	R	90.9	Very high	91.3	Very high	107 Å²	107	45 Å²	45	40%	0.404	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	156	-176.9	-60.8	177.4	-178.2	-178.3	-6.7	110.2	M107 D108 N467 G468	M107-R471 CarbonylContact C-O 3.5Å; M107-R471 WeakPolarHBondContact CA-O 3.43Å; D108-R471 PolarHBondContact N-O 2.7Å; D108-R471 PolarHBondContact O-N 3.4Å; N467-R471 PolarHBondContact O-NE 3Å; N467-R471 PolarHBondContact O-NH2 3.35Å; G468-R471 PolarHBondContact O-NE 3.04Å; G468-R471 VanDerWaalsContact O-NE 3.08Å
472	I	87.8	Confident	91.2	Very high	34 Å²	34	54 Å²	54	17%	0.174	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	127.9	167.7	-58.4	-59.5	0	0	0	108.3	M107 A463 W466 V474	M107-I472 HydrophobicContact CG-CD1 3.91Å; A463-I472 HydrophobicContact CB-CD1 4.15Å; A463-I472 HydrophobicContact CB-CG1 3.94Å; W466-I472 HydrophobicContact CZ3-CD1 4.33Å; I472-V474 HydrophobicContact CG2-CG2 3.52Å; I472-V474 WeakPolarHBondContact CG2-O 3.29Å; I472-V474 PolarHBondContact O-N 3.13Å
473	N	83.8	Confident	91.3	Very high	102 Å²	102	54.3 Å²	54.3	55%	0.545	28%	0.276	S	S	.	.	S	Bend	trans	-77.5	-4.4	-177	-79.6	-25.2	0	0	0	114.9	S106 D108	S106-N473 PolarHBondContact O-N 3.35Å; D108-N473 WeakPolarHBondContact CB-ND2 3.3Å; D108-N473 WeakPolarHBondContact CB-OD1 3.43Å
474	V	83.9	Confident	91.4	Very high	36 Å²	36	54 Å²	54	22%	0.218	27%	0.273	C	S	.	.	S	Bend	trans	-119.4	139.9	179	-69.4	0	0	0	0	109.1	R440 I472 C476	R440-V474 HydrophobicContact CB-CG2 4.14Å; R440-V474 HydrophobicContact CG-CG2 4.42Å; I472-V474 HydrophobicContact CG2-CG2 3.52Å; I472-V474 WeakPolarHBondContact CG2-O 3.29Å; I472-V474 PolarHBondContact O-N 3.13Å; V474-C476 PolarHBondContact O-N 3.45Å
475	N	86.2	Confident	91.6	Very high	156 Å²	156	56.9 Å²	56.9	83%	0.834	28%	0.282	S	S	*	.	P	Polyproline II helix	trans	-63.4	133.2	178.3	-71.7	-15.4	0	0	0	110
476	C	90.9	Very high	91.7	Very high	27 Å²	27	58.1 Å²	58.1	18%	0.182	29%	0.289	C	S	.	.	P	Polyproline II helix	trans	-73.1	144.9	168.7	-73.1	0	0	0	0	111.1	C464 V474 D480 E481	C464-C476 WeakPolarHBondContact CA-SG 3.48Å; C464-C476 HydrophobicContact CB-CB 3.55Å; C464-C476 WeakPolarHBondContact CB-SG 3.47Å; C464-C476 WeakPolarHBondContact SG-CB 3.44Å; C464-C476 CovalentContact SG-SG 2.03Å; C464-C476 PolarHBondContact SG-SG 2.87Å; V474-C476 PolarHBondContact O-N 3.45Å; C476-D480 HydrophobicContact CB-CB 4.12Å; C476-E481 HydrophobicContact CB-CG 4.23Å
477	T	93.4	Very high	92	Very high	40 Å²	40	57.5 Å²	57.5	25%	0.245	29%	0.287	C	S	.	.	P	Polyproline II helix	trans	-76	165	170.9	65.7	0	0	0	0	110.4	E479 D480 E481	T477-E479 PolarHBondContact O-N 2.78Å; T477-D480 PolarHBondContact N-OD2 3.26Å; T477-D480 VanDerWaalsContact N-OD2 3.08Å; T477-D480 PolarHBondContact O-N 3.34Å; T477-D480 WeakPolarHBondContact OG1-CB 3.34Å; T477-D480 PolarHBondContact OG1-N 3.16Å; T477-D480 PolarHBondContact OG1-OD2 3.5Å; T477-E481 PolarHBondContact O-N 3.4Å
478	V	93.6	Very high	92.5	Very high	110 Å²	110	54.7 Å²	54.7	67%	0.667	27%	0.272	S	S	*	.	H	α-helix	trans	-63.1	-35.2	175	175.5	0	0	0	0	110.4	E481 R482	V478-E481 PolarHBondContact O-N 3.11Å; V478-R482 WeakPolarHBondContact O-CB 3.5Å; V478-R482 PolarHBondContact O-N 3.13Å
479	E	95.1	Very high	93.1	Very high	98 Å²	98	55.2 Å²	55.2	46%	0.458	27%	0.272	S	S	.	.	H	α-helix	trans	-64.3	-45.1	175.3	-69.7	67.9	-154.4	0	0	111.4	T477 R482 F483	T477-E479 PolarHBondContact O-N 2.78Å; E479-R482 PolarHBondContact O-N 3.01Å; E479-F483 VanDerWaalsContact O-CB 3.3Å; E479-F483 WeakPolarHBondContact O-CB 3.48Å; E479-F483 PolarHBondContact O-N 2.85Å
480	D	95.2	Very high	93.7	Very high	0 Å²	0	53 Å²	53	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-61.9	-44.8	175.7	-65.2	-39.2	0	0	0	111.6	Y436 T438 R440 F459 C476 T477 F483 S484	Y436-D480 VanDerWaalsContact CE1-OD1 3.3Å; Y436-D480 WeakPolarHBondContact CE1-OD1 3.45Å; Y436-D480 PolarHBondContact OH-N 3Å; Y436-D480 PolarHBondContact OH-OD1 3.49Å; T438-D480 PolarHBondContact OG1-OD1 2.89Å; R440-D480 WeakPolarHBondContact CG-OD2 3.5Å; R440-D480 IonicContact NE-OD2 2.82Å; F459-D480 HydrophobicContact CE1-CB 4.06Å; C476-D480 HydrophobicContact CB-CB 4.12Å; T477-D480 PolarHBondContact N-OD2 3.26Å; T477-D480 VanDerWaalsContact N-OD2 3.08Å; T477-D480 PolarHBondContact O-N 3.34Å; T477-D480 WeakPolarHBondContact OG1-CB 3.34Å; T477-D480 PolarHBondContact OG1-N 3.16Å; T477-D480 PolarHBondContact OG1-OD2 3.5Å; D480-F483 PolarHBondContact O-N 3.3Å; D480-S484 WeakPolarHBondContact O-CB 3.32Å; D480-S484 PolarHBondContact O-N 3.25Å
481	E	95.7	Very high	94.1	Very high	65 Å²	65	53 Å²	53	30%	0.304	26%	0.261	S	S	.	.	H	α-helix	trans	-62	-44.4	176.7	-75.1	-168.9	-167.4	0	0	111.7	C464 F465 C476 T477 V478 S484 R485	C464-E481 HydrophobicContact CB-CG 4.16Å; F465-E481 HydrophobicContact CE1-CB 4.02Å; F465-E481 HydrophobicContact CE1-CG 3.73Å; F465-E481 HydrophobicContact CZ-CB 3.76Å; F465-E481 HydrophobicContact CZ-CG 3.92Å; C476-E481 HydrophobicContact CB-CG 4.23Å; T477-E481 PolarHBondContact O-N 3.4Å; V478-E481 PolarHBondContact O-N 3.11Å; E481-S484 PolarHBondContact O-N 2.8Å; E481-R485 WeakPolarHBondContact O-CG 3.31Å; E481-R485 PolarHBondContact O-N 3.41Å; E481-R485 IonicContact OE2-NH2 3.47Å; E481-R485 PolarHBondContact OE2-NH2 3.37Å
482	R	96	Very high	94.4	Very high	190 Å²	190	47.9 Å²	47.9	72%	0.717	24%	0.242	S	C	*	.	H	α-helix	trans	-62.4	-47.9	178	-179.1	-178.5	177.9	-174.5	-1.1	110.8	V478 E479 S484 R485 T486	V478-R482 WeakPolarHBondContact O-CB 3.5Å; V478-R482 PolarHBondContact O-N 3.13Å; E479-R482 PolarHBondContact O-N 3.01Å; R482-S484 VanDerWaalsContact C-N 3.34Å; R482-R485 PolarHBondContact O-N 3.33Å; R482-T486 PolarHBondContact O-N 3.13Å; R482-T486 VanDerWaalsContact O-N 3.11Å; R482-T486 PolarHBondContact O-OG1 2.94Å
483	F	97.3	Very high	95	Very high	7 Å²	7	46.7 Å²	46.7	3%	0.031	24%	0.237	C	C	.	.	H	α-helix	trans	-65.4	-38.4	179.9	-178.7	-108.8	0	0	0	111.6	F434 Y436 F459 E479 D480 R485 T486 M487 L521 G522	F434-F483 HydrophobicContact CD2-CE1 4.42Å; F434-F483 HydrophobicContact CD2-CZ 4.13Å; F434-F483 AromaticContact CE2-CE1 3.38Å; F434-F483 HydrophobicContact CE2-CE1 3.38Å; F434-F483 AromaticContact CE2-CZ 3.49Å; F434-F483 HydrophobicContact CE2-CZ 3.49Å; F434-F483 VanDerWaalsContact CE2-CZ 3.49Å; F434-F483 AromaticContact CZ-CE1 3.74Å; F434-F483 HydrophobicContact CZ-CE1 3.74Å; F434-F483 HydrophobicContact CZ-CZ 4.17Å; Y436-F483 VanDerWaalsContact CB-CE1 3.43Å; Y436-F483 VanDerWaalsContact CB-CZ 3.45Å; Y436-F483 AromaticContact CD1-CD1 3.64Å; Y436-F483 HydrophobicContact CD1-CD1 3.64Å; Y436-F483 AromaticContact CD1-CE1 3.71Å; Y436-F483 HydrophobicContact CD1-CE1 3.71Å; Y436-F483 HydrophobicContact CD1-CG 4.4Å; Y436-F483 HydrophobicContact CD2-CB 4.48Å; Y436-F483 AromaticContact CD2-CD1 3.88Å; Y436-F483 HydrophobicContact CD2-CD1 3.88Å; Y436-F483 HydrophobicContact CD2-CD2 4.05Å; Y436-F483 HydrophobicContact CD2-CE1 4.06Å; Y436-F483 HydrophobicContact CD2-CE2 4.24Å; Y436-F483 AromaticContact CD2-CG 3.87Å; Y436-F483 HydrophobicContact CD2-CG 3.87Å; Y436-F483 HydrophobicContact CD2-CZ 4.25Å; Y436-F483 AromaticContact CE1-CD1 3.97Å; Y436-F483 HydrophobicContact CE1-CD1 3.97Å; Y436-F483 HydrophobicContact CE1-CE1 4.49Å; Y436-F483 HydrophobicContact CE2-CB 4.14Å; Y436-F483 HydrophobicContact CE2-CD1 4.19Å; Y436-F483 HydrophobicContact CE2-CD2 4.48Å; Y436-F483 HydrophobicContact CE2-CG 4.02Å; Y436-F483 AromaticContact CG-CD1 3.58Å; Y436-F483 HydrophobicContact CG-CD1 3.58Å; Y436-F483 HydrophobicContact CG-CD2 4.4Å; Y436-F483 AromaticContact CG-CE1 3.45Å; Y436-F483 HydrophobicContact CG-CE1 3.45Å; Y436-F483 VanDerWaalsContact CG-CE1 3.45Å; Y436-F483 HydrophobicContact CG-CE2 4.3Å; Y436-F483 HydrophobicContact CG-CG 4.07Å; Y436-F483 AromaticContact CG-CZ 3.85Å; Y436-F483 HydrophobicContact CG-CZ 3.85Å; F459-F483 HydrophobicContact CB-CD1 4.42Å; F459-F483 HydrophobicContact CB-CE1 4.35Å; F459-F483 AromaticContact CD1-CD1 3.58Å; F459-F483 HydrophobicContact CD1-CD1 3.58Å; F459-F483 HydrophobicContact CD1-CE1 4.17Å; F459-F483 HydrophobicContact CD2-CD1 4.29Å; F459-F483 HydrophobicContact CD2-CE1 4.09Å; F459-F483 AromaticContact CE1-CD1 3.84Å; F459-F483 HydrophobicContact CE1-CD1 3.84Å; F459-F483 HydrophobicContact CE2-CE1 4.47Å; F459-F483 AromaticContact CG-CD1 3.84Å; F459-F483 HydrophobicContact CG-CD1 3.84Å; F459-F483 AromaticContact CG-CE1 3.94Å; F459-F483 HydrophobicContact CG-CE1 3.94Å; F459-F483 HydrophobicContact CZ-CD1 4.31Å; E479-F483 VanDerWaalsContact O-CB 3.3Å; E479-F483 WeakPolarHBondContact O-CB 3.48Å; E479-F483 PolarHBondContact O-N 2.85Å; D480-F483 PolarHBondContact O-N 3.3Å; F483-R485 PolarHBondContact O-N 2.96Å; F483-T486 WeakPolarHBondContact O-CB 3.48Å; F483-T486 PolarHBondContact O-N 3.02Å; F483-M487 HydrophobicContact CD1-CG 4.29Å; F483-M487 HydrophobicContact CE1-CG 3.87Å; F483-M487 HydrophobicContact CE1-SD 4.43Å; F483-M487 HydrophobicContact CE2-CG 4.34Å; F483-M487 HydrophobicContact CZ-CG 3.89Å; F483-M487 HydrophobicContact CZ-SD 4.02Å; F483-M487 WeakPolarHBondContact O-CG 3.47Å; F483-M487 PolarHBondContact O-N 3.36Å; F483-L521 HydrophobicContact CZ-CB 4.4Å; F483-G522 WeakPolarHBondContact CE2-O 3.2Å
484	S	97.1	Very high	95.7	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-60.2	-43.3	173.3	-177.1	0	0	0	0	112.6	F459 G462 D480 E481 R482 T486 M487 M488	F459-S484 PolarHBondContact O-OG 3.01Å; G462-S484 WeakPolarHBondContact CA-OG 3.49Å; D480-S484 WeakPolarHBondContact O-CB 3.32Å; D480-S484 PolarHBondContact O-N 3.25Å; E481-S484 PolarHBondContact O-N 2.8Å; R482-S484 VanDerWaalsContact C-N 3.34Å; S484-T486 VanDerWaalsContact C-N 3.33Å; S484-T486 PolarHBondContact O-N 3.3Å; S484-M487 PolarHBondContact O-N 2.78Å; S484-M488 WeakPolarHBondContact O-CG 3.42Å; S484-M488 PolarHBondContact O-N 3.28Å
485	R	97.6	Very high	96.4	Very high	79 Å²	79	40.1 Å²	40.1	30%	0.298	20%	0.2	S	C	.	.	H	α-helix	trans	-61.1	-43.2	174.2	-67.6	172.5	-149	-86.4	2.4	111.4	Y162 F465 E481 R482 F483 M487 M488 S489	Y162-R485 PolarHBondContact OH-NH1 2.86Å; F465-R485 HydrophobicContact CE2-CG 4.06Å; F465-R485 HydrophobicContact CZ-CG 3.95Å; F465-R485 VanDerWaalsContact CZ-CZ 3.48Å; E481-R485 WeakPolarHBondContact O-CG 3.31Å; E481-R485 PolarHBondContact O-N 3.41Å; E481-R485 IonicContact OE2-NH2 3.47Å; E481-R485 PolarHBondContact OE2-NH2 3.37Å; R482-R485 PolarHBondContact O-N 3.33Å; F483-R485 PolarHBondContact O-N 2.96Å; R485-M487 PolarHBondContact O-N 3.42Å; R485-M488 HydrophobicContact CG-CE 4.23Å; R485-M488 PolarHBondContact O-N 2.91Å; R485-S489 WeakPolarHBondContact O-CB 3.34Å; R485-S489 PolarHBondContact O-N 2.72Å; R485-S489 PolarHBondContact O-OG 3.27Å; R485-S489 VanDerWaalsContact O-OG 3.09Å
486	T	97.9	Very high	97	Very high	27 Å²	27	37.1 Å²	37.1	17%	0.166	18%	0.177	C	C	.	.	H	α-helix	trans	-59.8	-46.1	175.8	-63.2	0	0	0	0	112	R482 F483 S484 S489 Y490 L505 Q525	R482-T486 PolarHBondContact O-N 3.13Å; R482-T486 VanDerWaalsContact O-N 3.11Å; R482-T486 PolarHBondContact O-OG1 2.94Å; F483-T486 WeakPolarHBondContact O-CB 3.48Å; F483-T486 PolarHBondContact O-N 3.02Å; S484-T486 VanDerWaalsContact C-N 3.33Å; S484-T486 PolarHBondContact O-N 3.3Å; T486-S489 PolarHBondContact O-N 3.16Å; T486-Y490 HydrophobicContact CG2-CD2 3.95Å; T486-Y490 HydrophobicContact CG2-CE2 3.47Å; T486-Y490 VanDerWaalsContact CG2-CE2 3.47Å; T486-Y490 VanDerWaalsContact O-CD2 3.22Å; T486-Y490 WeakPolarHBondContact O-CD2 3.29Å; T486-Y490 PolarHBondContact O-N 3.42Å; T486-Y490 VanDerWaalsContact O-N 3.11Å; T486-L505 HydrophobicContact CG2-CD2 4.22Å; T486-Q525 HydrophobicContact CG2-CG 4.4Å
487	M	98.3	Very high	97.3	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-59.9	-51.5	175.6	-74.4	-72.5	-69.7	0	0	111.3	F434 D456 F459 F483 S484 R485 S489 Y490 W491 L521	F434-M487 HydrophobicContact CD2-CE 4.03Å; F434-M487 HydrophobicContact CD2-SD 4.31Å; F434-M487 HydrophobicContact CE2-CE 3.99Å; F434-M487 HydrophobicContact CE2-SD 4.25Å; D456-M487 HydrophobicContact CB-CE 3.98Å; F459-M487 HydrophobicContact CB-CB 4.1Å; F459-M487 HydrophobicContact CB-CG 3.88Å; F483-M487 HydrophobicContact CD1-CG 4.29Å; F483-M487 HydrophobicContact CE1-CG 3.87Å; F483-M487 HydrophobicContact CE1-SD 4.43Å; F483-M487 HydrophobicContact CE2-CG 4.34Å; F483-M487 HydrophobicContact CZ-CG 3.89Å; F483-M487 HydrophobicContact CZ-SD 4.02Å; F483-M487 WeakPolarHBondContact O-CG 3.47Å; F483-M487 PolarHBondContact O-N 3.36Å; S484-M487 PolarHBondContact O-N 2.78Å; R485-M487 PolarHBondContact O-N 3.42Å; M487-S489 PolarHBondContact O-N 3.34Å; M487-Y490 PolarHBondContact O-N 2.98Å; M487-W491 HydrophobicContact CE-CE3 4.27Å; M487-W491 HydrophobicContact CE-CH2 3.25Å; M487-W491 HydrophobicContact CE-CZ2 3.98Å; M487-W491 HydrophobicContact CE-CZ3 3.42Å; M487-W491 VanDerWaalsContact CE-CZ3 3.42Å; M487-W491 PolarHBondContact O-N 3.4Å; M487-W491 HydrophobicContact SD-CE3 4.49Å; M487-W491 HydrophobicContact SD-CH2 3.91Å; M487-W491 HydrophobicContact SD-CZ3 3.56Å; M487-W491 VanDerWaalsContact SD-CZ3 3.56Å; M487-L521 HydrophobicContact CE-CD1 4.35Å; M487-L521 HydrophobicContact SD-CB 4.4Å; M487-L521 HydrophobicContact SD-CD1 3.76Å; M487-L521 HydrophobicContact SD-CD2 4.45Å; M487-L521 HydrophobicContact SD-CG 4.44Å
488	M	98.6	Very high	97.5	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-53.4	-43	175.1	-75	-171.8	-63.7	0	0	111.5	L159 Y162 E163 M460 F465 S484 R485 Y490 W491 G492	L159-M488 HydrophobicContact CD1-CB 4.07Å; L159-M488 HydrophobicContact CD1-CG 3.95Å; Y162-M488 HydrophobicContact CD2-CE 3.53Å; Y162-M488 HydrophobicContact CD2-SD 4Å; Y162-M488 HydrophobicContact CE2-CE 4.14Å; Y162-M488 HydrophobicContact CG-CE 3.79Å; Y162-M488 HydrophobicContact CG-SD 4.39Å; E163-M488 VanDerWaalsContact CD-C 3.47Å; E163-M488 VanDerWaalsContact CD-O 3.23Å; E163-M488 HydrophobicContact CG-CB 3.99Å; E163-M488 VanDerWaalsContact CG-O 3.27Å; E163-M488 WeakPolarHBondContact CG-O 3.37Å; E163-M488 VanDerWaalsContact OE1-C 3.31Å; M460-M488 WeakPolarHBondContact O-CG 3.34Å; F465-M488 HydrophobicContact CD2-CE 3.79Å; F465-M488 HydrophobicContact CE2-CE 3.65Å; S484-M488 WeakPolarHBondContact O-CG 3.42Å; S484-M488 PolarHBondContact O-N 3.28Å; R485-M488 HydrophobicContact CG-CE 4.23Å; R485-M488 PolarHBondContact O-N 2.91Å; M488-Y490 PolarHBondContact O-N 3.37Å; M488-W491 PolarHBondContact O-N 3.1Å; M488-G492 PolarHBondContact O-N 3.23Å
489	S	98.6	Very high	97.8	Very high	35 Å²	35	34.5 Å²	34.5	25%	0.245	16%	0.163	C	C	.	.	H	α-helix	trans	-66.9	-35.2	-178.8	-66.7	0	0	0	0	114.6	E163 R485 T486 M487 S493	E163-S489 VanDerWaalsContact CD-CA 3.44Å; E163-S489 WeakPolarHBondContact OE1-CA 3.33Å; E163-S489 PolarHBondContact OE1-N 3.18Å; E163-S489 VanDerWaalsContact OE1-N 3.13Å; E163-S489 PolarHBondContact OE1-OG 3.47Å; R485-S489 WeakPolarHBondContact O-CB 3.34Å; R485-S489 PolarHBondContact O-N 2.72Å; R485-S489 PolarHBondContact O-OG 3.27Å; R485-S489 VanDerWaalsContact O-OG 3.09Å; T486-S489 PolarHBondContact O-N 3.16Å; M487-S489 PolarHBondContact O-N 3.34Å; S489-S493 WeakPolarHBondContact O-CB 3.25Å; S489-S493 PolarHBondContact O-N 3.5Å; S489-S493 PolarHBondContact O-OG 3.46Å
490	Y	98.8	Very high	98	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-65.8	-47.1	172.1	-75.8	-61.4	0	0	0	111.7	T486 M487 M488 S493 F494 P500 L505 V506 W508 L521 Q525	T486-Y490 HydrophobicContact CG2-CD2 3.95Å; T486-Y490 HydrophobicContact CG2-CE2 3.47Å; T486-Y490 VanDerWaalsContact CG2-CE2 3.47Å; T486-Y490 VanDerWaalsContact O-CD2 3.22Å; T486-Y490 WeakPolarHBondContact O-CD2 3.29Å; T486-Y490 PolarHBondContact O-N 3.42Å; T486-Y490 VanDerWaalsContact O-N 3.11Å; M487-Y490 PolarHBondContact O-N 2.98Å; M488-Y490 PolarHBondContact O-N 3.37Å; Y490-S493 PolarHBondContact O-N 2.04Å; Y490-F494 PolarHBondContact O-N 3.34Å; Y490-P500 HydrophobicContact CD1-CB 3.93Å; Y490-P500 VanDerWaalsContact CD1-O 3.29Å; Y490-P500 WeakPolarHBondContact CD1-O 3.45Å; Y490-L505 HydrophobicContact CD1-CB 4.37Å; Y490-L505 HydrophobicContact CD1-CD1 3.67Å; Y490-L505 HydrophobicContact CD1-CG 4.43Å; Y490-L505 HydrophobicContact CE1-CB 3.67Å; Y490-L505 HydrophobicContact CE1-CD1 3.85Å; Y490-L505 HydrophobicContact CE1-CD2 4.31Å; Y490-L505 HydrophobicContact CE1-CG 4.15Å; Y490-L505 HydrophobicContact CE2-CD2 4.25Å; Y490-L505 HydrophobicContact CG-CD1 4.16Å; Y490-V506 PolarHBondContact OH-N 3.49Å; Y490-V506 VanDerWaalsContact OH-N 3.16Å; Y490-V506 PolarHBondContact OH-O 2.96Å; Y490-W508 AromaticContact CD1-CE3 3.52Å; Y490-W508 HydrophobicContact CD1-CE3 3.52Å; Y490-W508 AromaticContact CD1-CZ3 3.87Å; Y490-W508 HydrophobicContact CD1-CZ3 3.87Å; Y490-W508 HydrophobicContact CD2-CE3 4.47Å; Y490-W508 HydrophobicContact CD2-CZ3 4.17Å; Y490-W508 AromaticContact CE1-CE3 3.74Å; Y490-W508 HydrophobicContact CE1-CE3 3.74Å; Y490-W508 HydrophobicContact CE1-CZ3 4.37Å; Y490-W508 AromaticContact CG-CE3 3.93Å; Y490-W508 HydrophobicContact CG-CE3 3.93Å; Y490-W508 AromaticContact CG-CZ3 3.76Å; Y490-W508 HydrophobicContact CG-CZ3 3.76Å; Y490-L521 HydrophobicContact CD2-CD2 4.27Å; Y490-L521 HydrophobicContact CE2-CD2 4.12Å; Y490-Q525 HydrophobicContact CE2-CG 3.87Å
491	W	98.8	Very high	98.1	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-69.1	-42.1	-178	-90.1	-113.5	0	0	0	112.1	M138 I246 Q248 M334 Y432 M460 M487 M488 F494 A495 L521	M138-W491 HydrophobicContact CE-CB 4.25Å; I246-W491 VanDerWaalsContact CD1-CD1 3.46Å; I246-W491 HydrophobicContact CD1-CG 4.25Å; Q248-W491 HydrophobicContact CG-CZ2 4.49Å; M334-W491 HydrophobicContact SD-CD2 4.43Å; M334-W491 HydrophobicContact SD-CZ2 4.44Å; Y432-W491 HydrophobicContact CD1-CH2 4.47Å; Y432-W491 HydrophobicContact CE1-CH2 4.1Å; Y432-W491 AromaticContact CE1-CZ2 3.97Å; Y432-W491 HydrophobicContact CE1-CZ2 3.97Å; M460-W491 HydrophobicContact CG-CB 4.11Å; M460-W491 VanDerWaalsContact CG-CD1 3.42Å; M460-W491 HydrophobicContact CG-CD2 3.93Å; M460-W491 HydrophobicContact CG-CG 3.58Å; M460-W491 HydrophobicContact SD-CG 3.99Å; M460-W491 PolarHBondContact SD-NE1 3.01Å; M487-W491 HydrophobicContact CE-CE3 4.27Å; M487-W491 HydrophobicContact CE-CH2 3.25Å; M487-W491 HydrophobicContact CE-CZ2 3.98Å; M487-W491 HydrophobicContact CE-CZ3 3.42Å; M487-W491 VanDerWaalsContact CE-CZ3 3.42Å; M487-W491 PolarHBondContact O-N 3.4Å; M487-W491 HydrophobicContact SD-CE3 4.49Å; M487-W491 HydrophobicContact SD-CH2 3.91Å; M487-W491 HydrophobicContact SD-CZ3 3.56Å; M487-W491 VanDerWaalsContact SD-CZ3 3.56Å; M488-W491 PolarHBondContact O-N 3.1Å; W491-F494 PolarHBondContact O-N 2.92Å; W491-A495 WeakPolarHBondContact O-CB 3.41Å; W491-A495 PolarHBondContact O-N 3.13Å; W491-L521 HydrophobicContact CH2-CD1 3.79Å; W491-L521 HydrophobicContact CZ3-CD1 4.01Å
492	G	98.6	Very high	98.1	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-62.1	-41.6	173.6	0	0	0	0	0	112.2	M488 F494 A495 R496	M488-G492 PolarHBondContact O-N 3.23Å; G492-F494 VanDerWaalsContact C-N 3.34Å; G492-F494 PolarHBondContact O-N 2.95Å; G492-A495 PolarHBondContact O-N 2.89Å; G492-R496 VanDerWaalsContact C-NH2 3.33Å; G492-R496 WeakPolarHBondContact O-CB 3.01Å; G492-R496 WeakPolarHBondContact O-CG 3.38Å; G492-R496 VanDerWaalsContact O-CZ 3.28Å; G492-R496 PolarHBondContact O-N 3.03Å; G492-R496 PolarHBondContact O-NE 2.79Å; G492-R496 PolarHBondContact O-NH1 2.82Å
493	S	98.7	Very high	97.9	Very high	9 Å²	9	26.5 Å²	26.5	6%	0.063	16%	0.163	C	C	.	.	H	α-helix	trans	-65.5	-40.1	177.7	-62.3	0	0	0	0	111.5	S489 Y490 R496 T497 S499 P500	S489-S493 WeakPolarHBondContact O-CB 3.25Å; S489-S493 PolarHBondContact O-N 3.5Å; S489-S493 PolarHBondContact O-OG 3.46Å; Y490-S493 PolarHBondContact O-N 2.04Å; S493-R496 VanDerWaalsContact CA-NH2 3.33Å; S493-R496 PolarHBondContact O-N 2.96Å; S493-R496 PolarHBondContact OG-NH2 2.94Å; S493-T497 PolarHBondContact O-N 3.13Å; S493-T497 PolarHBondContact O-OG1 3.35Å; S493-S499 CarbonylContact C-O 3.54Å; S493-S499 VanDerWaalsContact O-O 3.06Å; S493-P500 WeakPolarHBondContact CB-O 3.36Å
494	F	98.9	Very high	97.7	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-64.3	-44.4	174.1	-175.2	-98.4	0	0	0	111.9	T218 K244 A245 I246 P332 M334 Y430 Y490 W491 G492 R496 T497 G498 S499	T218-F494 HydrophobicContact CG2-CD1 4.21Å; T218-F494 HydrophobicContact CG2-CE1 4.13Å; K244-F494 HydrophobicContact CB-CE1 3.87Å; K244-F494 HydrophobicContact CB-CZ 4.28Å; K244-F494 WeakPolarHBondContact CD-O 3.35Å; K244-F494 HydrophobicContact CG-CE1 4.42Å; A245-F494 WeakPolarHBondContact O-CE1 3.45Å; I246-F494 HydrophobicContact CD1-CD1 3.74Å; I246-F494 HydrophobicContact CD1-CE1 4.18Å; I246-F494 HydrophobicContact CG1-CD1 3.68Å; I246-F494 HydrophobicContact CG1-CE1 3.57Å; P332-F494 HydrophobicContact CB-CE2 4.14Å; P332-F494 HydrophobicContact CB-CZ 4.13Å; M334-F494 HydrophobicContact CB-CD1 4.45Å; M334-F494 HydrophobicContact CB-CD2 4.27Å; M334-F494 HydrophobicContact CB-CE1 4.18Å; M334-F494 HydrophobicContact CB-CE2 4Å; M334-F494 HydrophobicContact CB-CG 4.48Å; M334-F494 HydrophobicContact CB-CZ 3.94Å; M334-F494 HydrophobicContact CE-CB 3.28Å; M334-F494 HydrophobicContact CE-CD1 3.95Å; M334-F494 HydrophobicContact CE-CD2 3.57Å; M334-F494 HydrophobicContact CE-CE2 4.34Å; M334-F494 HydrophobicContact CE-CG 3.32Å; Y430-F494 HydrophobicContact CD2-CD2 4.39Å; Y430-F494 HydrophobicContact CD2-CE2 4.03Å; Y430-F494 HydrophobicContact CE2-CE2 4.41Å; Y490-F494 PolarHBondContact O-N 3.34Å; W491-F494 PolarHBondContact O-N 2.92Å; G492-F494 VanDerWaalsContact C-N 3.34Å; G492-F494 PolarHBondContact O-N 2.95Å; F494-R496 VanDerWaalsContact C-N 3.28Å; F494-R496 PolarHBondContact O-N 3.1Å; F494-T497 PolarHBondContact O-N 3.12Å; F494-G498 WeakPolarHBondContact CE2-O 3.31Å; F494-G498 WeakPolarHBondContact O-CA 3.06Å; F494-G498 PolarHBondContact O-N 3.08Å; F494-S499 VanDerWaalsContact CA-O 3.26Å; F494-S499 WeakPolarHBondContact CA-O 3.45Å; F494-S499 PolarHBondContact N-O 3.43Å; F494-S499 VanDerWaalsContact N-O 3.1Å
495	A	98.8	Very high	97.8	Very high	0 Å²	0	32 Å²	32	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-60.1	-38	175.3	0	0	0	0	0	112.6	P136 M138 I165 T218 K244 W491 G492	P136-A495 WeakPolarHBondContact CB-O 3.31Å; M138-A495 HydrophobicContact CE-CB 3.88Å; I165-A495 HydrophobicContact CD1-CB 4.34Å; T218-A495 WeakPolarHBondContact OG1-CA 3.31Å; K244-A495 WeakPolarHBondContact CE-O 3.37Å; W491-A495 WeakPolarHBondContact O-CB 3.41Å; W491-A495 PolarHBondContact O-N 3.13Å; G492-A495 PolarHBondContact O-N 2.89Å
496	R	98.4	Very high	97.8	Very high	92 Å²	92	31.1 Å²	31.1	35%	0.347	22%	0.217	S	C	.	.	H	α-helix	trans	-69	-44.9	176.3	-76.2	178.6	-61.8	-97.1	5.3	113	P136 E163 I165 G492 S493 F494	P136-R496 HydrophobicContact CG-CB 4.48Å; P136-R496 HydrophobicContact CG-CG 3.71Å; E163-R496 PolarHBondContact O-NH1 2.75Å; E163-R496 IonicContact OE2-CZ 3.02Å; E163-R496 IonicContact OE2-NH1 3.51Å; E163-R496 PolarHBondContact OE2-NH1 3.36Å; E163-R496 IonicContact OE2-NH2 3.72Å; E163-R496 PolarHBondContact OE2-NH2 2.62Å; I165-R496 HydrophobicContact CG2-CG 4.44Å; G492-R496 VanDerWaalsContact C-NH2 3.33Å; G492-R496 WeakPolarHBondContact O-CB 3.01Å; G492-R496 WeakPolarHBondContact O-CG 3.38Å; G492-R496 VanDerWaalsContact O-CZ 3.28Å; G492-R496 PolarHBondContact O-N 3.03Å; G492-R496 PolarHBondContact O-NE 2.79Å; G492-R496 PolarHBondContact O-NH1 2.82Å; S493-R496 VanDerWaalsContact CA-NH2 3.33Å; S493-R496 PolarHBondContact O-N 2.96Å; S493-R496 PolarHBondContact OG-NH2 2.94Å; F494-R496 VanDerWaalsContact C-N 3.28Å; F494-R496 PolarHBondContact O-N 3.1Å
497	T	98.3	Very high	97.8	Very high	93 Å²	93	35.1 Å²	35.1	57%	0.571	24%	0.237	S	C	*	.	H	α-helix	trans	-125.3	-12.9	-160.4	69.8	0	0	0	0	115.3	S493 F494 S499	S493-T497 PolarHBondContact O-N 3.13Å; S493-T497 PolarHBondContact O-OG1 3.35Å; F494-T497 PolarHBondContact O-N 3.12Å; T497-S499 PolarHBondContact OG1-N 3.23Å; T497-S499 VanDerWaalsContact OG1-N 3.08Å; T497-S499 PolarHBondContact OG1-O 3.35Å
498	G	98.5	Very high	97.8	Very high	8 Å²	8	35.2 Å²	35.2	8%	0.082	24%	0.237	C	C	.	.	S	Bend	trans	75.6	9.1	-167.2	0	0	0	0	0	113.6	Y430 F494	Y430-G498 WeakPolarHBondContact CE2-O 3.43Å; F494-G498 WeakPolarHBondContact CE2-O 3.31Å; F494-G498 WeakPolarHBondContact O-CA 3.06Å; F494-G498 PolarHBondContact O-N 3.08Å
499	S	98.6	Very high	97.8	Very high	21 Å²	21	36.1 Å²	36.1	15%	0.147	24%	0.244	C	C	.	.	S	Bend	trans	-130.7	135.1	172.5	-170.4	0	0	0	0	110	Y430 S493 F494 T497 N501	Y430-S499 WeakPolarHBondContact OH-CB 3.41Å; Y430-S499 PolarHBondContact OH-OG 2.86Å; S493-S499 CarbonylContact C-O 3.54Å; S493-S499 VanDerWaalsContact O-O 3.06Å; F494-S499 VanDerWaalsContact CA-O 3.26Å; F494-S499 WeakPolarHBondContact CA-O 3.45Å; F494-S499 PolarHBondContact N-O 3.43Å; F494-S499 VanDerWaalsContact N-O 3.1Å; T497-S499 PolarHBondContact OG1-N 3.23Å; T497-S499 VanDerWaalsContact OG1-N 3.08Å; T497-S499 PolarHBondContact OG1-O 3.35Å; S499-N501 PolarHBondContact O-N 3.22Å; S499-N501 PolarHBondContact OG-N 3.26Å; S499-N501 PolarHBondContact OG-ND2 3.05Å
500	P	98.6	Very high	97.8	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	25%	0.254	C	S	.	.			trans	-68.2	-12	173.8	27.7	-32.1	0	0	0	112.9	M334 Y430 Y490 S493 W508	M334-P500 HydrophobicContact CE-CB 3.7Å; M334-P500 HydrophobicContact CE-CG 4.22Å; Y430-P500 VanDerWaalsContact CD1-CD 3.49Å; Y430-P500 HydrophobicContact CD1-CG 3.59Å; Y430-P500 HydrophobicContact CD2-CG 4.34Å; Y430-P500 HydrophobicContact CE1-CG 4Å; Y430-P500 HydrophobicContact CG-CG 3.77Å; Y490-P500 HydrophobicContact CD1-CB 3.93Å; Y490-P500 VanDerWaalsContact CD1-O 3.29Å; Y490-P500 WeakPolarHBondContact CD1-O 3.45Å; S493-P500 WeakPolarHBondContact CB-O 3.36Å; P500-W508 HydrophobicContact CB-CD2 4.08Å; P500-W508 HydrophobicContact CB-CE3 3.69Å; P500-W508 HydrophobicContact CB-CG 4.5Å; P500-W508 HydrophobicContact CB-CZ3 4.14Å; P500-W508 HydrophobicContact CG-CB 3.79Å; P500-W508 HydrophobicContact CG-CD2 3.64Å; P500-W508 HydrophobicContact CG-CE3 3.82Å; P500-W508 HydrophobicContact CG-CG 3.68Å
501	N	98.3	Very high	97.7	Very high	44 Å²	44	39.3 Å²	39.3	24%	0.235	26%	0.256	C	S	.	.			trans	-66.3	138.7	-177.9	-67.7	-58	0	0	0	112.6	S499 N507 W508	S499-N501 PolarHBondContact O-N 3.22Å; S499-N501 PolarHBondContact OG-N 3.26Å; S499-N501 PolarHBondContact OG-ND2 3.05Å; N501-N507 VanDerWaalsContact OD1-CA 3.31Å; N501-N507 WeakPolarHBondContact OD1-CA 3.42Å; N501-N507 PolarHBondContact OD1-OD1 3.37Å; N501-W508 PolarHBondContact ND2-O 3.08Å; N501-W508 PolarHBondContact OD1-N 2.94Å
502	G	94.9	Very high	97.5	Very high	32 Å²	32	42.1 Å²	42.1	33%	0.33	27%	0.271	S	S	.	.			trans	-161	170.5	-178.5	0	0	0	0	0	112	G504 L505	G502-G504 PolarHBondContact O-N 3.35Å; G502-L505 PolarHBondContact O-N 3.5Å
503	A	93.2	Very high	97.2	Very high	110 Å²	110	46.2 Å²	46.2	91%	0.909	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.4	131.5	-179.8	0	0	0	0	0	111.3	L505	A503-L505 PolarHBondContact O-N 3.41Å
504	G	93.6	Very high	97	Very high	89 Å²	89	53.7 Å²	53.7	92%	0.918	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.2	-0.6	179.8	0	0	0	0	0	115.2	G502	G502-G504 PolarHBondContact O-N 3.35Å
505	L	97.3	Very high	96.9	Very high	33 Å²	33	59.1 Å²	59.1	17%	0.173	34%	0.344	C	S	.	.	S	Bend	trans	-92.7	152.2	175.8	-59.4	178.5	0	0	0	111.2	T486 Y490 G502 A503	T486-L505 HydrophobicContact CG2-CD2 4.22Å; Y490-L505 HydrophobicContact CD1-CB 4.37Å; Y490-L505 HydrophobicContact CD1-CD1 3.67Å; Y490-L505 HydrophobicContact CD1-CG 4.43Å; Y490-L505 HydrophobicContact CE1-CB 3.67Å; Y490-L505 HydrophobicContact CE1-CD1 3.85Å; Y490-L505 HydrophobicContact CE1-CD2 4.31Å; Y490-L505 HydrophobicContact CE1-CG 4.15Å; Y490-L505 HydrophobicContact CE2-CD2 4.25Å; Y490-L505 HydrophobicContact CG-CD1 4.16Å; G502-L505 PolarHBondContact O-N 3.5Å; A503-L505 PolarHBondContact O-N 3.41Å
506	V	98.1	Very high	96.8	Very high	61 Å²	61	61.2 Å²	61.2	37%	0.37	35%	0.354	S	S	.	.	P	Polyproline II helix	trans	-68.7	134.9	171.5	178.1	0	0	0	0	108	Y490 W508 M519 Q525	Y490-V506 PolarHBondContact OH-N 3.49Å; Y490-V506 VanDerWaalsContact OH-N 3.16Å; Y490-V506 PolarHBondContact OH-O 2.96Å; V506-W508 PolarHBondContact O-N 3.28Å; V506-W508 VanDerWaalsContact O-N 3.12Å; V506-M519 HydrophobicContact CB-CE 4.17Å; V506-M519 HydrophobicContact CG1-CE 3.97Å; V506-Q525 HydrophobicContact CB-CB 4.11Å; V506-Q525 HydrophobicContact CG2-CB 3.99Å
507	N	98	Very high	96.8	Very high	111 Å²	111	58.6 Å²	58.6	59%	0.594	35%	0.346	S	S	*	.	P	Polyproline II helix	trans	-62.1	119.2	179.9	-179.2	86.4	0	0	0	110.7	N501 V527	N501-N507 VanDerWaalsContact OD1-CA 3.31Å; N501-N507 WeakPolarHBondContact OD1-CA 3.42Å; N501-N507 PolarHBondContact OD1-OD1 3.37Å; N507-V527 WeakPolarHBondContact O-CG2 3.33Å
508	W	98.4	Very high	96.8	Very high	1 Å²	1	55 Å²	55	0%	0.004	32%	0.322	C	S	.	.			trans	-96.3	113	177.8	-164.2	-31.5	0	0	0	109.2	M334 Y430 M431 Y432 Y490 P500 N501 V506 M519 L521	M334-W508 HydrophobicContact CG-CH2 4.44Å; M334-W508 HydrophobicContact CG-CZ2 4.29Å; M334-W508 HydrophobicContact SD-CH2 3.81Å; M334-W508 HydrophobicContact SD-CZ2 4.23Å; M334-W508 HydrophobicContact SD-CZ3 4.43Å; Y430-W508 AromaticContact CD1-CD1 3.83Å; Y430-W508 HydrophobicContact CD1-CG 4.23Å; Y430-W508 WeakPolarHBondContact CE1-O 3.11Å; M431-W508 PolarHBondContact O-NE1 2.98Å; Y432-W508 VanDerWaalsContact CB-CZ2 3.48Å; Y432-W508 AromaticContact CD1-CH2 3.9Å; Y432-W508 HydrophobicContact CD1-CH2 3.9Å; Y432-W508 AromaticContact CD1-CZ2 3.93Å; Y432-W508 HydrophobicContact CD1-CZ2 3.93Å; Y432-W508 HydrophobicContact CG-CH2 4.08Å; Y432-W508 HydrophobicContact CG-CZ2 4.12Å; Y490-W508 AromaticContact CD1-CE3 3.52Å; Y490-W508 HydrophobicContact CD1-CE3 3.52Å; Y490-W508 AromaticContact CD1-CZ3 3.87Å; Y490-W508 HydrophobicContact CD1-CZ3 3.87Å; Y490-W508 HydrophobicContact CD2-CE3 4.47Å; Y490-W508 HydrophobicContact CD2-CZ3 4.17Å; Y490-W508 AromaticContact CE1-CE3 3.74Å; Y490-W508 HydrophobicContact CE1-CE3 3.74Å; Y490-W508 HydrophobicContact CE1-CZ3 4.37Å; Y490-W508 AromaticContact CG-CE3 3.93Å; Y490-W508 HydrophobicContact CG-CE3 3.93Å; Y490-W508 AromaticContact CG-CZ3 3.76Å; Y490-W508 HydrophobicContact CG-CZ3 3.76Å; P500-W508 HydrophobicContact CB-CD2 4.08Å; P500-W508 HydrophobicContact CB-CE3 3.69Å; P500-W508 HydrophobicContact CB-CG 4.5Å; P500-W508 HydrophobicContact CB-CZ3 4.14Å; P500-W508 HydrophobicContact CG-CB 3.79Å; P500-W508 HydrophobicContact CG-CD2 3.64Å; P500-W508 HydrophobicContact CG-CE3 3.82Å; P500-W508 HydrophobicContact CG-CG 3.68Å; N501-W508 PolarHBondContact ND2-O 3.08Å; N501-W508 PolarHBondContact OD1-N 2.94Å; V506-W508 PolarHBondContact O-N 3.28Å; V506-W508 VanDerWaalsContact O-N 3.12Å; W508-M519 HydrophobicContact CB-CE 3.67Å; W508-M519 HydrophobicContact CD2-CB 3.47Å; W508-M519 VanDerWaalsContact CD2-CB 3.47Å; W508-M519 HydrophobicContact CD2-CE 4.14Å; W508-M519 HydrophobicContact CD2-CG 3.94Å; W508-M519 HydrophobicContact CE3-CB 3.93Å; W508-M519 HydrophobicContact CE3-CE 4.31Å; W508-M519 HydrophobicContact CE3-CG 3.92Å; W508-M519 HydrophobicContact CG-CB 3.89Å; W508-M519 HydrophobicContact CG-CE 3.87Å; W508-M519 HydrophobicContact CG-CG 4.47Å; W508-M519 HydrophobicContact CH2-CB 4.22Å; W508-M519 HydrophobicContact CZ2-CB 3.79Å; W508-M519 HydrophobicContact CZ3-CB 4.27Å; W508-M519 HydrophobicContact CZ3-CG 4.23Å; W508-L521 HydrophobicContact CH2-CD1 4.03Å; W508-L521 HydrophobicContact CH2-CD2 4.42Å; W508-L521 HydrophobicContact CZ3-CD1 4.36Å; W508-L521 HydrophobicContact CZ3-CD2 4.05Å
509	P	98.1	Very high	96.8	Very high	20 Å²	20	54.6 Å²	54.6	13%	0.13	32%	0.318	C	S	.	.	P	Polyproline II helix	trans	-73.6	155.7	-176.5	30.8	-35.7	0	0	0	111.9	Y430 E517 V527	Y430-P509 WeakPolarHBondContact CD1-O 3.16Å; P509-E517 HydrophobicContact CB-CB 4.21Å; P509-E517 HydrophobicContact CG-CB 3.61Å; P509-E517 HydrophobicContact CG-CG 4.49Å; P509-V527 HydrophobicContact CG-CG1 3.76Å; P509-V527 HydrophobicContact CG-CG2 4.24Å
510	L	98.3	Very high	96.8	Very high	89 Å²	89	55.7 Å²	55.7	47%	0.466	32%	0.321	S	S	.	.	P	Polyproline II helix	trans	-62.6	138.7	163.7	-73.2	168.3	0	0	0	109.5	P428 V429 Y430 D512	P428-L510 HydrophobicContact CB-CD2 3.87Å; V429-L510 CarbonylContact O-C 3.54Å; V429-L510 WeakPolarHBondContact O-CA 3.2Å; Y430-L510 HydrophobicContact CD1-CD2 4.46Å; Y430-L510 HydrophobicContact CD2-CD2 4.34Å; Y430-L510 HydrophobicContact CE1-CD2 3.84Å; Y430-L510 HydrophobicContact CE1-CG 4.19Å; Y430-L510 HydrophobicContact CE2-CD2 3.7Å; Y430-L510 VanDerWaalsContact CZ-CD2 3.42Å; L510-D512 PolarHBondContact O-N 3.26Å
511	Y	98.4	Very high	96.8	Very high	12 Å²	12	55.7 Å²	55.7	5%	0.047	32%	0.321	C	S	.	.	P	Polyproline II helix	trans	-67.7	129.4	170.8	-174.7	-92.1	0	0	0	109.4	A419 V429 M431 Q516 E517	A419-Y511 HydrophobicContact CB-CD1 4.16Å; A419-Y511 HydrophobicContact CB-CE1 3.99Å; V429-Y511 HydrophobicContact CG1-CD1 4.48Å; V429-Y511 HydrophobicContact CG1-CG 4.33Å; V429-Y511 WeakPolarHBondContact O-CB 3.31Å; V429-Y511 PolarHBondContact O-N 3.21Å; M431-Y511 HydrophobicContact CB-CD2 3.74Å; M431-Y511 HydrophobicContact CB-CE2 4.42Å; M431-Y511 HydrophobicContact CB-CG 4.4Å; M431-Y511 HydrophobicContact CG-CD2 4.41Å; M431-Y511 HydrophobicContact SD-CD2 3.85Å; M431-Y511 HydrophobicContact SD-CE2 3.54Å; M431-Y511 VanDerWaalsContact SD-CE2 3.54Å; Y511-Q516 HydrophobicContact CE2-CB 3.98Å; Y511-Q516 HydrophobicContact CE2-CG 4.39Å; Y511-E517 WeakPolarHBondContact CD2-O 3.35Å
512	D	94.6	Very high	96.8	Very high	59 Å²	59	53.9 Å²	53.9	32%	0.316	31%	0.312	S	S	.	.			trans	-124.1	142.9	177.3	165.2	-102.3	0	0	0	109.3	L510 Q514 K515 Q516	L510-D512 PolarHBondContact O-N 3.26Å; D512-Q514 PolarHBondContact O-N 3.13Å; D512-Q514 VanDerWaalsContact OD1-CA 3.31Å; D512-Q514 WeakPolarHBondContact OD1-CA 3.24Å; D512-Q514 VanDerWaalsContact OD1-CB 3.25Å; D512-Q514 WeakPolarHBondContact OD1-CB 3.38Å; D512-Q514 PolarHBondContact OD1-N 3.36Å; D512-K515 HydrophobicContact CB-CB 4.46Å; D512-K515 PolarHBondContact OD1-N 3.28Å; D512-Q516 WeakPolarHBondContact O-CA 3.25Å; D512-Q516 PolarHBondContact O-N 3.08Å
513	R	92.4	Very high	96.6	Very high	87 Å²	87	59.6 Å²	59.6	33%	0.328	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-30.6	-178.1	-80.3	-73.8	-156.6	177	0.6	113.3	G420 T423 D424 Q516	G420-R513 VanDerWaalsContact CA-NE 3.31Å; G420-R513 VanDerWaalsContact CA-NH2 3.35Å; G420-R513 PolarHBondContact O-NE 3.47Å; G420-R513 PolarHBondContact O-NH2 3.49Å; G420-R513 VanDerWaalsContact O-NH2 3.12Å; T423-R513 HydrophobicContact CG2-CG 4.27Å; D424-R513 IonicContact OD1-CZ 3.19Å; D424-R513 IonicContact OD1-NE 3.45Å; D424-R513 PolarHBondContact OD1-NE 2.89Å; D424-R513 IonicContact OD1-NH2 3.31Å; D424-R513 IonicContact OD2-CZ 3.73Å; D424-R513 IonicContact OD2-NE 3.68Å; D424-R513 PolarHBondContact OD2-NE 3.44Å; D424-R513 IonicContact OD2-NH2 3.63Å; D424-R513 PolarHBondContact OD2-NH2 3.45Å; R513-Q516 WeakPolarHBondContact O-CG 3.49Å; R513-Q516 PolarHBondContact O-NE2 3.35Å
514	Q	93.7	Very high	96.7	Very high	166 Å²	166	59 Å²	59	78%	0.776	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.8	-48.3	-176.3	-55.7	-171.6	-16.5	0	0	112.1	D512	D512-Q514 PolarHBondContact O-N 3.13Å; D512-Q514 VanDerWaalsContact OD1-CA 3.31Å; D512-Q514 WeakPolarHBondContact OD1-CA 3.24Å; D512-Q514 VanDerWaalsContact OD1-CB 3.25Å; D512-Q514 WeakPolarHBondContact OD1-CB 3.38Å; D512-Q514 PolarHBondContact OD1-N 3.36Å
515	K	95.9	Very high	96.9	Very high	113 Å²	113	56.1 Å²	56.1	49%	0.491	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.5	-35	-178.5	-60.3	-176.2	-179	177.6	0	112.4	D512 E517	D512-K515 HydrophobicContact CB-CB 4.46Å; D512-K515 PolarHBondContact OD1-N 3.28Å; K515-E517 VanDerWaalsContact C-N 3.25Å; K515-E517 HydrophobicContact CB-CG 3.89Å; K515-E517 WeakPolarHBondContact CD-OE2 3.28Å; K515-E517 IonicContact NZ-OE2 3.35Å; K515-E517 PolarHBondContact O-N 2.04Å
516	Q	97.3	Very high	96.9	Very high	45 Å²	45	56.6 Å²	56.6	21%	0.21	28%	0.283	C	S	.	.			trans	51.2	46	-177.4	-57	-178	-2.9	0	0	111.9	Y511 D512 R513 Q529 K530	Y511-Q516 HydrophobicContact CE2-CB 3.98Å; Y511-Q516 HydrophobicContact CE2-CG 4.39Å; D512-Q516 WeakPolarHBondContact O-CA 3.25Å; D512-Q516 PolarHBondContact O-N 3.08Å; R513-Q516 WeakPolarHBondContact O-CG 3.49Å; R513-Q516 PolarHBondContact O-NE2 3.35Å; Q516-Q529 CarbonylContact O-C 3.5Å; Q516-Q529 WeakPolarHBondContact O-CA 3.45Å; Q516-K530 HydrophobicContact CB-CG 4.16Å; Q516-K530 PolarHBondContact O-N 2.87Å
517	E	98.4	Very high	96.9	Very high	36 Å²	36	56.6 Å²	56.6	17%	0.168	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	136.2	179.3	-72.3	170.8	131.2	0	0	110.6	P509 Y511 K515 V527 K528 Q529	P509-E517 HydrophobicContact CB-CB 4.21Å; P509-E517 HydrophobicContact CG-CB 3.61Å; P509-E517 HydrophobicContact CG-CG 4.49Å; Y511-E517 WeakPolarHBondContact CD2-O 3.35Å; K515-E517 VanDerWaalsContact C-N 3.25Å; K515-E517 HydrophobicContact CB-CG 3.89Å; K515-E517 WeakPolarHBondContact CD-OE2 3.28Å; K515-E517 IonicContact NZ-OE2 3.35Å; K515-E517 PolarHBondContact O-N 2.04Å; E517-V527 HydrophobicContact CB-CG1 4.29Å; E517-V527 HydrophobicContact CG-CG1 4.4Å; E517-K528 VanDerWaalsContact CA-O 3.3Å; E517-K528 WeakPolarHBondContact CA-O 3.17Å; E517-Q529 HydrophobicContact CB-CG 4.49Å; E517-Q529 HydrophobicContact CG-CG 3.55Å; E517-Q529 PolarHBondContact OE1-NE2 2.86Å
518	Y	98.7	Very high	97	Very high	18 Å²	18	55.3 Å²	55.3	7%	0.071	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	158.2	176.8	72.8	-87.3	0	0	0	110.4	M431 E433 E520 V527 K528 L531	M431-Y518 CarbonylContact O-C 3.49Å; M431-Y518 VanDerWaalsContact O-CA 3.29Å; M431-Y518 WeakPolarHBondContact O-CA 3.34Å; M431-Y518 WeakPolarHBondContact O-CB 3.36Å; E433-Y518 HydrophobicContact CB-CD2 3.93Å; E433-Y518 HydrophobicContact CB-CE2 3.51Å; E433-Y518 PolarHBondContact OE2-OH 3.21Å; Y518-E520 HydrophobicContact CE2-CB 4.37Å; Y518-V527 WeakPolarHBondContact O-CA 3.37Å; Y518-K528 HydrophobicContact CD1-CB 3.99Å; Y518-K528 HydrophobicContact CD2-CB 4.33Å; Y518-K528 HydrophobicContact CE1-CB 3.43Å; Y518-K528 VanDerWaalsContact CE1-CB 3.43Å; Y518-K528 HydrophobicContact CE2-CB 3.81Å; Y518-K528 HydrophobicContact CE2-CG 4.25Å; Y518-K528 HydrophobicContact CG-CB 4.42Å; Y518-K528 PolarHBondContact N-O 2.81Å; Y518-K528 PolarHBondContact O-N 3.09Å; Y518-L531 HydrophobicContact CD1-CB 3.9Å; Y518-L531 HydrophobicContact CE1-CB 3.65Å; Y518-L531 HydrophobicContact CE1-CD1 4.23Å; Y518-L531 HydrophobicContact CE2-CD1 4.07Å; Y518-L531 HydrophobicContact CG-CB 4.49Å
519	M	98.8	Very high	97	Very high	0 Å²	0	60.2 Å²	60.2	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	121.1	173.9	-174.2	63.4	75.8	0	0	110.4	M431 Y432 E433 V506 W508 L521 Q525 V527	M431-M519 PolarHBondContact O-N 3.27Å; Y432-M519 CarbonylContact C-O 3.57Å; Y432-M519 WeakPolarHBondContact CA-O 3.28Å; Y432-M519 WeakPolarHBondContact CB-O 3.36Å; E433-M519 PolarHBondContact N-O 3.46Å; V506-M519 HydrophobicContact CB-CE 4.17Å; V506-M519 HydrophobicContact CG1-CE 3.97Å; W508-M519 HydrophobicContact CB-CE 3.67Å; W508-M519 HydrophobicContact CD2-CB 3.47Å; W508-M519 VanDerWaalsContact CD2-CB 3.47Å; W508-M519 HydrophobicContact CD2-CE 4.14Å; W508-M519 HydrophobicContact CD2-CG 3.94Å; W508-M519 HydrophobicContact CE3-CB 3.93Å; W508-M519 HydrophobicContact CE3-CE 4.31Å; W508-M519 HydrophobicContact CE3-CG 3.92Å; W508-M519 HydrophobicContact CG-CB 3.89Å; W508-M519 HydrophobicContact CG-CE 3.87Å; W508-M519 HydrophobicContact CG-CG 4.47Å; W508-M519 HydrophobicContact CH2-CB 4.22Å; W508-M519 HydrophobicContact CZ2-CB 3.79Å; W508-M519 HydrophobicContact CZ3-CB 4.27Å; W508-M519 HydrophobicContact CZ3-CG 4.23Å; M519-L521 HydrophobicContact CG-CD2 3.57Å; M519-L521 HydrophobicContact CG-CG 4.12Å; M519-Q525 HydrophobicContact SD-CB 3.76Å; M519-V527 HydrophobicContact CE-CG2 4.18Å; M519-V527 HydrophobicContact SD-CG2 4.49Å
520	E	98.8	Very high	96.9	Very high	43 Å²	43	63.4 Å²	63.4	20%	0.201	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	114.8	165.5	-175.7	-177.3	82.2	0	0	108.7	E433 V435 Y518 G522 Q525 T526 K528	E433-E520 CarbonylContact O-C 3.59Å; E433-E520 WeakPolarHBondContact O-CA 3.36Å; V435-E520 HydrophobicContact CB-CG 4.4Å; V435-E520 HydrophobicContact CG1-CG 3.81Å; V435-E520 HydrophobicContact CG2-CG 3.6Å; Y518-E520 HydrophobicContact CE2-CB 4.37Å; E520-G522 PolarHBondContact O-N 3.28Å; E520-Q525 WeakPolarHBondContact O-CA 3.42Å; E520-T526 PolarHBondContact N-O 3.05Å; E520-T526 PolarHBondContact O-N 3.48Å; E520-T526 PolarHBondContact OE1-OG1 3.34Å; E520-K528 HydrophobicContact CB-CG 3.79Å; E520-K528 VanDerWaalsContact CD-CE 3.41Å; E520-K528 VanDerWaalsContact OE1-CE 3.23Å; E520-K528 WeakPolarHBondContact OE1-CE 3.16Å; E520-K528 IonicContact OE1-NZ 2.59Å; E520-K528 WeakPolarHBondContact OE2-CE 3.48Å
521	L	98.7	Very high	96.9	Very high	0 Å²	0	59.4 Å²	59.4	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	79.3	-179.5	-61.2	172	0	0	0	109.5	Y432 E433 F434 V435 Y436 F483 M487 Y490 W491 W508 M519 Q525	Y432-L521 HydrophobicContact CD1-CD1 4.41Å; Y432-L521 HydrophobicContact CD2-CD1 3.56Å; Y432-L521 HydrophobicContact CD2-CG 4.44Å; Y432-L521 HydrophobicContact CE2-CD1 4.23Å; Y432-L521 HydrophobicContact CG-CD1 3.67Å; E433-L521 PolarHBondContact O-N 3.02Å; F434-L521 HydrophobicContact CD2-CB 4.09Å; V435-L521 PolarHBondContact N-O 3Å; Y436-L521 PolarHBondContact N-O 3.48Å; F483-L521 HydrophobicContact CZ-CB 4.4Å; M487-L521 HydrophobicContact CE-CD1 4.35Å; M487-L521 HydrophobicContact SD-CB 4.4Å; M487-L521 HydrophobicContact SD-CD1 3.76Å; M487-L521 HydrophobicContact SD-CD2 4.45Å; M487-L521 HydrophobicContact SD-CG 4.44Å; Y490-L521 HydrophobicContact CD2-CD2 4.27Å; Y490-L521 HydrophobicContact CE2-CD2 4.12Å; W491-L521 HydrophobicContact CH2-CD1 3.79Å; W491-L521 HydrophobicContact CZ3-CD1 4.01Å; W508-L521 HydrophobicContact CH2-CD1 4.03Å; W508-L521 HydrophobicContact CH2-CD2 4.42Å; W508-L521 HydrophobicContact CZ3-CD1 4.36Å; W508-L521 HydrophobicContact CZ3-CD2 4.05Å; M519-L521 HydrophobicContact CG-CD2 3.57Å; M519-L521 HydrophobicContact CG-CG 4.12Å; L521-Q525 HydrophobicContact CD2-CG 3.82Å
522	G	96.8	Very high	96.9	Very high	6 Å²	6	61.1 Å²	61.1	6%	0.062	29%	0.293	C	S	.	.	S	Bend	trans	-110.6	-162.5	171.4	0	0	0	0	0	112.1	V435 F483 E520 T524 Q525	V435-G522 VanDerWaalsContact CG2-CA 3.43Å; F483-G522 WeakPolarHBondContact CE2-O 3.2Å; E520-G522 PolarHBondContact O-N 3.28Å; G522-T524 PolarHBondContact O-N 2.93Å; G522-T524 VanDerWaalsContact O-N 3.11Å; G522-Q525 PolarHBondContact O-NE2 3Å
523	Q	91.6	Very high	97	Very high	152 Å²	152	64 Å²	64	71%	0.71	30%	0.303	S	S	*	.	S	Bend	trans	-53.7	-34.2	175.7	-170.7	175.8	45.3	0	0	112.1	Y436	Y436-Q523 HydrophobicContact CD2-CB 4.45Å; Y436-Q523 HydrophobicContact CE2-CB 4.5Å
524	T	94.1	Very high	97.2	Very high	97 Å²	97	65.4 Å²	65.4	60%	0.595	32%	0.317	S	S	*	.	S	Bend	trans	-118.1	135.1	165.8	55.7	0	0	0	0	109.5	G522	G522-T524 PolarHBondContact O-N 2.93Å; G522-T524 VanDerWaalsContact O-N 3.11Å
525	Q	98.1	Very high	97.3	Very high	30 Å²	30	60.3 Å²	60.3	14%	0.14	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	125.7	175.8	-71.5	74.8	47.8	0	0	110.3	T486 Y490 V506 M519 E520 L521 G522	T486-Q525 HydrophobicContact CG2-CG 4.4Å; Y490-Q525 HydrophobicContact CE2-CG 3.87Å; V506-Q525 HydrophobicContact CB-CB 4.11Å; V506-Q525 HydrophobicContact CG2-CB 3.99Å; M519-Q525 HydrophobicContact SD-CB 3.76Å; E520-Q525 WeakPolarHBondContact O-CA 3.42Å; L521-Q525 HydrophobicContact CD2-CG 3.82Å; G522-Q525 PolarHBondContact O-NE2 3Å
526	T	98.3	Very high	97.4	Very high	42 Å²	42	56.1 Å²	56.1	26%	0.258	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	140.8	-178.4	69.1	0	0	0	0	111.4	E520 K528	E520-T526 PolarHBondContact N-O 3.05Å; E520-T526 PolarHBondContact O-N 3.48Å; E520-T526 PolarHBondContact OE1-OG1 3.34Å; T526-K528 VanDerWaalsContact OG1-CE 3.26Å; T526-K528 WeakPolarHBondContact OG1-CE 3.5Å
527	V	98.6	Very high	97.3	Very high	62 Å²	62	59.1 Å²	59.1	38%	0.376	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	125.3	173.1	178.2	0	0	0	0	108.7	N507 P509 E517 Y518 M519	N507-V527 WeakPolarHBondContact O-CG2 3.33Å; P509-V527 HydrophobicContact CG-CG1 3.76Å; P509-V527 HydrophobicContact CG-CG2 4.24Å; E517-V527 HydrophobicContact CB-CG1 4.29Å; E517-V527 HydrophobicContact CG-CG1 4.4Å; Y518-V527 WeakPolarHBondContact O-CA 3.37Å; M519-V527 HydrophobicContact CE-CG2 4.18Å; M519-V527 HydrophobicContact SD-CG2 4.49Å
528	K	98.4	Very high	97.3	Very high	84 Å²	84	57.7 Å²	57.7	37%	0.365	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	174.9	175	-60.4	-64.2	-168.9	-175.6	0	109.6	E517 Y518 E520 T526	E517-K528 VanDerWaalsContact CA-O 3.3Å; E517-K528 WeakPolarHBondContact CA-O 3.17Å; Y518-K528 HydrophobicContact CD1-CB 3.99Å; Y518-K528 HydrophobicContact CD2-CB 4.33Å; Y518-K528 HydrophobicContact CE1-CB 3.43Å; Y518-K528 VanDerWaalsContact CE1-CB 3.43Å; Y518-K528 HydrophobicContact CE2-CB 3.81Å; Y518-K528 HydrophobicContact CE2-CG 4.25Å; Y518-K528 HydrophobicContact CG-CB 4.42Å; Y518-K528 PolarHBondContact N-O 2.81Å; Y518-K528 PolarHBondContact O-N 3.09Å; E520-K528 HydrophobicContact CB-CG 3.79Å; E520-K528 VanDerWaalsContact CD-CE 3.41Å; E520-K528 VanDerWaalsContact OE1-CE 3.23Å; E520-K528 WeakPolarHBondContact OE1-CE 3.16Å; E520-K528 IonicContact OE1-NZ 2.59Å; E520-K528 WeakPolarHBondContact OE2-CE 3.48Å; T526-K528 VanDerWaalsContact OG1-CE 3.26Å; T526-K528 WeakPolarHBondContact OG1-CE 3.5Å
529	Q	98.4	Very high	97.1	Very high	104 Å²	104	58.9 Å²	58.9	49%	0.486	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	147.4	-179.6	-75.4	179.8	-9.5	0	0	110.5	Q516 E517	Q516-Q529 CarbonylContact O-C 3.5Å; Q516-Q529 WeakPolarHBondContact O-CA 3.45Å; E517-Q529 HydrophobicContact CB-CG 4.49Å; E517-Q529 HydrophobicContact CG-CG 3.55Å; E517-Q529 PolarHBondContact OE1-NE2 2.86Å
530	K	97.8	Very high	96.8	Very high	86 Å²	86	63.5 Å²	63.5	37%	0.374	32%	0.317	S	S	.	.	S	Bend	trans	57.9	62	170.4	-56.2	175.6	-177.7	179.3	0	112.1	Q516 K532 K533	Q516-K530 HydrophobicContact CB-CG 4.16Å; Q516-K530 PolarHBondContact O-N 2.87Å; K530-K532 PolarHBondContact O-N 3.38Å; K530-K533 HydrophobicContact CB-CB 3.92Å; K530-K533 HydrophobicContact CB-CD 4.33Å; K530-K533 HydrophobicContact CB-CG 4.09Å; K530-K533 HydrophobicContact CD-CD 4.08Å; K530-K533 HydrophobicContact CD-CG 4.36Å; K530-K533 WeakPolarHBondContact O-CB 3.43Å; K530-K533 PolarHBondContact O-N 3.44Å
531	L	97.9	Very high	96.7	Very high	6 Å²	6	63.4 Å²	63.4	3%	0.031	32%	0.324	C	S	.	.	T	Hydrogen-bonded Turn	trans	-49.5	130.6	174.7	-179.2	61.9	0	0	0	110.4	V337 I416 M431 E433 Y518 K533	V337-L531 HydrophobicContact CG2-CD2 3.93Å; I416-L531 HydrophobicContact CD1-CB 4.28Å; I416-L531 HydrophobicContact CD1-CD2 4.29Å; I416-L531 HydrophobicContact CD1-CG 4.18Å; I416-L531 WeakPolarHBondContact CD1-O 3.44Å; I416-L531 HydrophobicContact CG1-CD2 4.3Å; M431-L531 HydrophobicContact CE-CD2 3.51Å; E433-L531 HydrophobicContact CB-CD1 4.07Å; E433-L531 HydrophobicContact CG-CD1 4.05Å; E433-L531 WeakPolarHBondContact OE2-CD1 3.45Å; Y518-L531 HydrophobicContact CD1-CB 3.9Å; Y518-L531 HydrophobicContact CE1-CB 3.65Å; Y518-L531 HydrophobicContact CE1-CD1 4.23Å; Y518-L531 HydrophobicContact CE2-CD1 4.07Å; Y518-L531 HydrophobicContact CG-CB 4.49Å; L531-K533 PolarHBondContact O-N 3.09Å; L531-K533 VanDerWaalsContact O-N 3.09Å
532	K	97.2	Very high	96.6	Very high	47 Å²	47	65 Å²	65	20%	0.204	33%	0.334	C	S	.	.	T	Hydrogen-bonded Turn	trans	51.4	33	-179.9	-59.8	-79.5	179.5	145.7	0	113.5	E404 D408 A412 I416 K530 D534 R535 V536	E404-K532 IonicContact OE2-NZ 3.03Å; E404-K532 PolarHBondContact OE2-NZ 2.86Å; D408-K532 WeakPolarHBondContact OD1-CD 3.3Å; D408-K532 WeakPolarHBondContact OD1-CE 3.42Å; D408-K532 IonicContact OD1-NZ 3.21Å; D408-K532 PolarHBondContact OD1-NZ 3.23Å; D408-K532 IonicContact OD2-NZ 3.39Å; A412-K532 HydrophobicContact CB-CG 4.38Å; I416-K532 HydrophobicContact CD1-CB 4.22Å; K530-K532 PolarHBondContact O-N 3.38Å; K532-D534 VanDerWaalsContact C-N 3.29Å; K532-D534 PolarHBondContact O-N 3.43Å; K532-R535 HydrophobicContact CB-CB 4.37Å; K532-R535 PolarHBondContact O-N 3.36Å; K532-V536 HydrophobicContact CB-CG2 4.47Å; K532-V536 PolarHBondContact O-N 2.87Å
533	K	97	Very high	96.5	Very high	119 Å²	119	65.4 Å²	65.4	52%	0.517	34%	0.335	S	S	.	.	H	α-helix	trans	-38.5	-52.2	-174.7	-175.7	-172.7	170.5	-161	0	114.4	K530 L531 V536 H537	K530-K533 HydrophobicContact CB-CB 3.92Å; K530-K533 HydrophobicContact CB-CD 4.33Å; K530-K533 HydrophobicContact CB-CG 4.09Å; K530-K533 HydrophobicContact CD-CD 4.08Å; K530-K533 HydrophobicContact CD-CG 4.36Å; K530-K533 WeakPolarHBondContact O-CB 3.43Å; K530-K533 PolarHBondContact O-N 3.44Å; L531-K533 PolarHBondContact O-N 3.09Å; L531-K533 VanDerWaalsContact O-N 3.09Å; K533-V536 PolarHBondContact O-N 3.28Å; K533-H537 WeakPolarHBondContact O-CB 3.27Å; K533-H537 PolarHBondContact O-N 3.13Å
534	D	96.7	Very high	96.7	Very high	118 Å²	118	61.3 Å²	61.3	63%	0.631	32%	0.321	S	S	*	.	H	α-helix	trans	-71.5	-35.4	-173.7	-62.3	-22.8	0	0	0	111.8	K532 H537 F538	K532-D534 VanDerWaalsContact C-N 3.29Å; K532-D534 PolarHBondContact O-N 3.43Å; D534-H537 PolarHBondContact O-N 3.47Å; D534-F538 WeakPolarHBondContact O-CB 3.49Å; D534-F538 PolarHBondContact O-N 3.41Å
535	R	96.7	Very high	96.8	Very high	58 Å²	58	62.2 Å²	62.2	22%	0.219	32%	0.319	C	S	.	.	H	α-helix	trans	-70.2	-42.4	174.8	-58.6	-55.5	-169.9	-166.1	4.2	111.4	E387 K532 H537 F538 I539	E387-R535 PolarHBondContact O-NH1 3.41Å; E387-R535 IonicContact OE1-NH1 2.67Å; E387-R535 PolarHBondContact OE1-NH1 2.96Å; K532-R535 HydrophobicContact CB-CB 4.37Å; K532-R535 PolarHBondContact O-N 3.36Å; R535-H537 PolarHBondContact O-N 3.1Å; R535-F538 PolarHBondContact O-N 2.96Å; R535-I539 WeakPolarHBondContact O-CG1 3.36Å; R535-I539 PolarHBondContact O-N 2.91Å
536	V	96.4	Very high	96.6	Very high	25 Å²	25	64.3 Å²	64.3	15%	0.152	33%	0.327	C	S	.	.	H	α-helix	trans	-58.5	-48.2	172.8	174.4	0	0	0	0	110.4	L413 I416 K532 K533 F538 I539 T540	L413-V536 HydrophobicContact CD2-CG2 3.8Å; I416-V536 HydrophobicContact CD1-CG2 3.7Å; I416-V536 HydrophobicContact CG2-CG2 4.29Å; K532-V536 HydrophobicContact CB-CG2 4.47Å; K532-V536 PolarHBondContact O-N 2.87Å; K533-V536 PolarHBondContact O-N 3.28Å; V536-F538 PolarHBondContact O-N 3.42Å; V536-I539 PolarHBondContact O-N 3.35Å; V536-T540 HydrophobicContact CG1-CG2 4.34Å; V536-T540 WeakPolarHBondContact O-CB 3.31Å; V536-T540 WeakPolarHBondContact O-CG2 3.49Å; V536-T540 PolarHBondContact O-N 3.34Å; V536-T540 PolarHBondContact O-OG1 2.81Å
537	H	96.8	Very high	96.4	Very high	109 Å²	109	64.8 Å²	64.8	51%	0.505	33%	0.328	S	S	.	.	H	α-helix	trans	-61.3	-43.7	177.9	-179.5	62.7	0	0	0	112.1	K533 D534 R535 A541 T542	K533-H537 WeakPolarHBondContact O-CB 3.27Å; K533-H537 PolarHBondContact O-N 3.13Å; D534-H537 PolarHBondContact O-N 3.47Å; R535-H537 PolarHBondContact O-N 3.1Å; H537-A541 WeakPolarHBondContact O-CB 3.42Å; H537-A541 PolarHBondContact O-N 3.32Å; H537-T542 PolarHBondContact O-N 3.33Å
538	F	97.3	Very high	96.2	Very high	5 Å²	5	68.6 Å²	68.6	2%	0.022	34%	0.341	C	S	.	.	I	π-helix	trans	-59.2	-51.8	177.3	175.3	-98.1	0	0	0	111.9	L383 I384 E387 D534 R535 V536 T540 T542 L543	L383-F538 WeakPolarHBondContact O-CZ 3.25Å; I384-F538 HydrophobicContact CG1-CE1 4.11Å; E387-F538 HydrophobicContact CB-CD1 4.3Å; E387-F538 HydrophobicContact CB-CD2 4.13Å; E387-F538 HydrophobicContact CB-CE1 3.84Å; E387-F538 HydrophobicContact CB-CE2 3.63Å; E387-F538 HydrophobicContact CB-CG 4.44Å; E387-F538 HydrophobicContact CB-CZ 3.47Å; E387-F538 VanDerWaalsContact CB-CZ 3.47Å; E387-F538 HydrophobicContact CG-CB 4.5Å; E387-F538 HydrophobicContact CG-CD1 3.9Å; E387-F538 HydrophobicContact CG-CD2 3.6Å; E387-F538 HydrophobicContact CG-CE1 3.96Å; E387-F538 HydrophobicContact CG-CE2 3.66Å; E387-F538 HydrophobicContact CG-CG 3.72Å; E387-F538 HydrophobicContact CG-CZ 3.84Å; D534-F538 WeakPolarHBondContact O-CB 3.49Å; D534-F538 PolarHBondContact O-N 3.41Å; R535-F538 PolarHBondContact O-N 2.96Å; V536-F538 PolarHBondContact O-N 3.42Å; F538-T540 PolarHBondContact O-N 3.03Å; F538-T542 HydrophobicContact CD2-CG2 3.91Å; F538-T542 HydrophobicContact CE2-CG2 4.16Å; F538-T542 PolarHBondContact O-N 3.38Å; F538-L543 HydrophobicContact CE1-CB 4.16Å; F538-L543 HydrophobicContact CZ-CB 4.27Å; F538-L543 HydrophobicContact CZ-CD1 4.4Å; F538-L543 VanDerWaalsContact O-CB 3.29Å; F538-L543 WeakPolarHBondContact O-CB 3.4Å; F538-L543 PolarHBondContact O-N 3.09Å
539	I	94.5	Very high	96	Very high	43 Å²	43	69.9 Å²	69.9	22%	0.221	35%	0.349	C	S	.	.	I	π-helix	trans	-67.1	-39	-176.3	-66.3	-66.8	0	0	0	111.9	I384 L413 R535 V536 L543 P544	I384-I539 HydrophobicContact CD1-CD1 4.12Å; I384-I539 HydrophobicContact CG1-CD1 3.94Å; L413-I539 HydrophobicContact CD1-CG1 3.85Å; R535-I539 WeakPolarHBondContact O-CG1 3.36Å; R535-I539 PolarHBondContact O-N 2.91Å; V536-I539 PolarHBondContact O-N 3.35Å; I539-L543 HydrophobicContact CD1-CD2 4.04Å; I539-P544 VanDerWaalsContact O-CD 3.3Å; I539-P544 WeakPolarHBondContact O-CD 3.48Å
540	T	93.6	Very high	95.6	Very high	97 Å²	97	69.4 Å²	69.4	60%	0.595	35%	0.347	S	S	*	.	I	π-helix	trans	-89.7	-23.3	-172.4	59.6	0	0	0	0	114.5	V536 F538	V536-T540 HydrophobicContact CG1-CG2 4.34Å; V536-T540 WeakPolarHBondContact O-CB 3.31Å; V536-T540 WeakPolarHBondContact O-CG2 3.49Å; V536-T540 PolarHBondContact O-N 3.34Å; V536-T540 PolarHBondContact O-OG1 2.81Å; F538-T540 PolarHBondContact O-N 3.03Å
541	A	95.8	Very high	95.3	Very high	41 Å²	41	68.2 Å²	68.2	34%	0.339	35%	0.354	S	S	.	.	I	π-helix	trans	-123.5	-58.6	-177	0	0	0	0	0	112.6	H537 P544 Q545	H537-A541 WeakPolarHBondContact O-CB 3.42Å; H537-A541 PolarHBondContact O-N 3.32Å; A541-P544 WeakPolarHBondContact O-CD 3.4Å; A541-Q545 WeakPolarHBondContact O-CB 3.46Å; A541-Q545 PolarHBondContact O-N 3.39Å
542	T	97.2	Very high	95	Very high	35 Å²	35	70.5 Å²	70.5	22%	0.215	37%	0.373	C	S	.	.	I	π-helix	trans	-66.4	-44.7	-171.8	-53.1	0	0	0	0	112.5	H537 F538 Q545 K546	H537-T542 PolarHBondContact O-N 3.33Å; F538-T542 HydrophobicContact CD2-CG2 3.91Å; F538-T542 HydrophobicContact CE2-CG2 4.16Å; F538-T542 PolarHBondContact O-N 3.38Å; T542-Q545 PolarHBondContact O-N 2.97Å; T542-K546 HydrophobicContact CG2-CD 4.32Å; T542-K546 HydrophobicContact CG2-CG 4.47Å; T542-K546 WeakPolarHBondContact O-CG 3.45Å; T542-K546 PolarHBondContact O-N 3.15Å
543	L	94.9	Very high	94.7	Very high	14 Å²	14	71.1 Å²	71.1	7%	0.073	39%	0.388	C	S	.	.	H	α-helix	trans	-64.2	-51.1	-177.6	174	66.3	0	0	0	111.7	A380 L383 I384 F538 I539 Q545 K546 L547	A380-L543 HydrophobicContact CB-CD1 4.35Å; A380-L543 HydrophobicContact CB-CD2 4.49Å; L383-L543 HydrophobicContact CB-CD1 3.65Å; L383-L543 HydrophobicContact CD1-CD1 3.77Å; L383-L543 HydrophobicContact CG-CD1 4.39Å; I384-L543 HydrophobicContact CD1-CD2 3.99Å; I384-L543 HydrophobicContact CG1-CD2 3.89Å; F538-L543 HydrophobicContact CE1-CB 4.16Å; F538-L543 HydrophobicContact CZ-CB 4.27Å; F538-L543 HydrophobicContact CZ-CD1 4.4Å; F538-L543 VanDerWaalsContact O-CB 3.29Å; F538-L543 WeakPolarHBondContact O-CB 3.4Å; F538-L543 PolarHBondContact O-N 3.09Å; I539-L543 HydrophobicContact CD1-CD2 4.04Å; L543-Q545 VanDerWaalsContact C-N 3.3Å; L543-Q545 PolarHBondContact O-N 3.22Å; L543-K546 PolarHBondContact O-N 3.27Å; L543-L547 HydrophobicContact CD1-CD1 4.16Å; L543-L547 HydrophobicContact CD1-CG 4.26Å; L543-L547 HydrophobicContact CG-CD1 4.13Å; L543-L547 WeakPolarHBondContact O-CG 3.39Å; L543-L547 PolarHBondContact O-N 2.89Å
544	P	94.8	Very high	94.3	Very high	66 Å²	66	68.4 Å²	68.4	43%	0.429	39%	0.387	S	S	.	.	H	α-helix	trans	-55.3	-41.8	173	-28	34.4	0	0	0	113.6	I539 A541 L547 H548	I539-P544 VanDerWaalsContact O-CD 3.3Å; I539-P544 WeakPolarHBondContact O-CD 3.48Å; A541-P544 WeakPolarHBondContact O-CD 3.4Å; P544-L547 PolarHBondContact O-N 3.18Å; P544-H548 WeakPolarHBondContact O-CB 3.21Å; P544-H548 PolarHBondContact O-N 3.01Å
545	Q	95.9	Very high	94	Very high	116 Å²	116	65.4 Å²	65.4	54%	0.542	38%	0.379	S	S	.	.	H	α-helix	trans	-63.1	-46.1	178.4	-174.3	-178	10.2	0	0	111.9	A541 T542 L543 H548 Q549	A541-Q545 WeakPolarHBondContact O-CB 3.46Å; A541-Q545 PolarHBondContact O-N 3.39Å; T542-Q545 PolarHBondContact O-N 2.97Å; L543-Q545 VanDerWaalsContact C-N 3.3Å; L543-Q545 PolarHBondContact O-N 3.22Å; Q545-H548 PolarHBondContact O-N 2.79Å; Q545-Q549 WeakPolarHBondContact O-CG 3.42Å; Q545-Q549 PolarHBondContact O-N 3.32Å
546	K	95.3	Very high	93.7	Very high	74 Å²	74	70.8 Å²	70.8	32%	0.322	40%	0.404	S	S	.	.	H	α-helix	trans	-60.4	-45.1	176.4	-75.9	-175.3	176.2	-174.4	0	111.4	L383 T542 L543 H548 Q549 M550	L383-K546 HydrophobicContact CD1-CB 3.88Å; L383-K546 HydrophobicContact CD1-CD 4.44Å; L383-K546 HydrophobicContact CD2-CD 4.17Å; T542-K546 HydrophobicContact CG2-CD 4.32Å; T542-K546 HydrophobicContact CG2-CG 4.47Å; T542-K546 WeakPolarHBondContact O-CG 3.45Å; T542-K546 PolarHBondContact O-N 3.15Å; L543-K546 PolarHBondContact O-N 3.27Å; K546-H548 VanDerWaalsContact C-N 3.34Å; K546-H548 PolarHBondContact O-N 3.31Å; K546-Q549 PolarHBondContact O-N 3.44Å; K546-M550 WeakPolarHBondContact O-CG 3.49Å; K546-M550 PolarHBondContact O-N 3Å
547	L	93.8	Very high	93.3	Very high	51 Å²	51	73.7 Å²	73.7	27%	0.267	43%	0.431	S	S	.	.	H	α-helix	trans	-60.9	-42.5	177.8	-70.3	169.9	0	0	0	111.9	A379 A380 L383 L543 P544 M550 A551	A379-L547 HydrophobicContact CB-CD2 4.04Å; A380-L547 HydrophobicContact CB-CD1 4.04Å; A380-L547 HydrophobicContact CB-CD2 4.32Å; L383-L547 HydrophobicContact CD1-CD2 3.95Å; L383-L547 HydrophobicContact CD1-CG 4.2Å; L543-L547 HydrophobicContact CD1-CD1 4.16Å; L543-L547 HydrophobicContact CD1-CG 4.26Å; L543-L547 HydrophobicContact CG-CD1 4.13Å; L543-L547 WeakPolarHBondContact O-CG 3.39Å; L543-L547 PolarHBondContact O-N 2.89Å; P544-L547 PolarHBondContact O-N 3.18Å; L547-M550 PolarHBondContact O-N 2.9Å; L547-A551 WeakPolarHBondContact O-CB 3.49Å; L547-A551 PolarHBondContact O-N 3.32Å
548	H	93.5	Very high	92.6	Very high	143 Å²	143	72.8 Å²	72.8	66%	0.662	44%	0.442	S	S	*	.	H	α-helix	trans	-63.8	-42.8	176.8	-173.1	71.5	0	0	0	112.3	P544 Q545 K546 M550 A551 A552	P544-H548 WeakPolarHBondContact O-CB 3.21Å; P544-H548 PolarHBondContact O-N 3.01Å; Q545-H548 PolarHBondContact O-N 2.79Å; K546-H548 VanDerWaalsContact C-N 3.34Å; K546-H548 PolarHBondContact O-N 3.31Å; H548-M550 PolarHBondContact O-N 3.29Å; H548-A551 PolarHBondContact O-N 3.02Å; H548-A552 WeakPolarHBondContact O-CB 3.47Å; H548-A552 PolarHBondContact O-N 3.47Å
549	Q	93.6	Very high	91.2	Very high	111 Å²	111	81.8 Å²	81.8	52%	0.519	49%	0.49	S	S	.	.	H	α-helix	trans	-62.5	-41.5	176	-72.5	172	-6.8	0	0	112.2	Q545 K546 A552 A553	Q545-Q549 WeakPolarHBondContact O-CG 3.42Å; Q545-Q549 PolarHBondContact O-N 3.32Å; K546-Q549 PolarHBondContact O-N 3.44Å; Q549-A552 PolarHBondContact O-N 2.98Å; Q549-A553 WeakPolarHBondContact O-CB 3.28Å; Q549-A553 PolarHBondContact O-N 3.04Å
550	M	91.4	Very high	91.1	Very high	93 Å²	93	83.7 Å²	83.7	46%	0.458	50%	0.503	S	S	.	.	H	α-helix	trans	-63.8	-44.1	176	-70.6	177.4	71.7	0	0	111.8	A379 L383 K546 L547 H548 A552 A553 A554	A379-M550 HydrophobicContact CB-CE 3.61Å; A379-M550 HydrophobicContact CB-SD 4.04Å; L383-M550 HydrophobicContact CD1-SD 4Å; K546-M550 WeakPolarHBondContact O-CG 3.49Å; K546-M550 PolarHBondContact O-N 3Å; L547-M550 PolarHBondContact O-N 2.9Å; H548-M550 PolarHBondContact O-N 3.29Å; M550-A552 PolarHBondContact O-N 3.41Å; M550-A553 PolarHBondContact O-N 3.28Å; M550-A554 WeakPolarHBondContact O-CB 3.5Å; M550-A554 PolarHBondContact O-N 3.22Å
551	A	90.4	Very high	90.9	Very high	62 Å²	62	83 Å²	83	51%	0.512	50%	0.499	S	S	.	.	H	α-helix	trans	-62	-43	176.4	0	0	0	0	0	111.7	L547 H548 A554 A555	L547-A551 WeakPolarHBondContact O-CB 3.49Å; L547-A551 PolarHBondContact O-N 3.32Å; H548-A551 PolarHBondContact O-N 3.02Å; A551-A554 PolarHBondContact O-N 3.41Å; A551-A555 WeakPolarHBondContact O-CB 3.43Å; A551-A555 PolarHBondContact O-N 3.34Å
552	A	91.4	Very high	90.7	Very high	53 Å²	53	85.3 Å²	85.3	44%	0.438	51%	0.507	S	S	.	.	H	α-helix	trans	-64.5	-40.6	176.2	0	0	0	0	0	112.5	H548 Q549 M550 A555 K556	H548-A552 WeakPolarHBondContact O-CB 3.47Å; H548-A552 PolarHBondContact O-N 3.47Å; Q549-A552 PolarHBondContact O-N 2.98Å; M550-A552 PolarHBondContact O-N 3.41Å; A552-A555 PolarHBondContact O-N 2.92Å; A552-K556 WeakPolarHBondContact O-CB 3.35Å; A552-K556 PolarHBondContact O-N 2.7Å
553	A	91.6	Very high	90.3	Very high	61 Å²	61	88.3 Å²	88.3	50%	0.504	53%	0.525	S	S	.	.	H	α-helix	trans	-65.1	-42.5	176.1	0	0	0	0	0	112	Q549 M550 K556 A557	Q549-A553 WeakPolarHBondContact O-CB 3.28Å; Q549-A553 PolarHBondContact O-N 3.04Å; M550-A553 PolarHBondContact O-N 3.28Å; A553-K556 PolarHBondContact O-N 3.12Å; A553-A557 PolarHBondContact O-N 2.86Å
554	A	89.5	Confident	90	Very high	62 Å²	62	92.9 Å²	92.9	51%	0.512	55%	0.553	S	S	.	*	H	α-helix	trans	-63.2	-43	176	0	0	0	0	0	111.9	M550 A551 K556 A557 A558	M550-A554 WeakPolarHBondContact O-CB 3.5Å; M550-A554 PolarHBondContact O-N 3.22Å; A551-A554 PolarHBondContact O-N 3.41Å; A554-K556 VanDerWaalsContact C-N 3.32Å; A554-K556 PolarHBondContact O-N 3.41Å; A554-A557 PolarHBondContact O-N 3.5Å; A554-A558 PolarHBondContact O-N 3.5Å; A554-A558 VanDerWaalsContact O-N 3.12Å
555	A	90	Very high	89.7	Confident	55 Å²	55	94.7 Å²	94.7	46%	0.455	56%	0.561	S	S	.	*	H	α-helix	trans	-63.1	-37.2	175.7	0	0	0	0	0	112.4	A551 A552 A558 N559	A551-A555 WeakPolarHBondContact O-CB 3.43Å; A551-A555 PolarHBondContact O-N 3.34Å; A552-A555 PolarHBondContact O-N 2.92Å; A555-A558 PolarHBondContact O-N 3.26Å; A555-N559 PolarHBondContact O-N 3.23Å; A555-N559 PolarHBondContact O-ND2 3.12Å
556	K	90.1	Very high	89.2	Confident	171 Å²	171	93.2 Å²	93.2	74%	0.743	56%	0.563	S	S	*	*	H	α-helix	trans	-69.8	-32.6	175.5	-171.4	179	178.8	-176.6	0	112.8	A552 A553 A554 A558 N559	A552-K556 WeakPolarHBondContact O-CB 3.35Å; A552-K556 PolarHBondContact O-N 2.7Å; A553-K556 PolarHBondContact O-N 3.12Å; A554-K556 VanDerWaalsContact C-N 3.32Å; A554-K556 PolarHBondContact O-N 3.41Å; K556-A558 VanDerWaalsContact C-N 3.35Å; K556-N559 VanDerWaalsContact O-OXT 3.13Å
557	A	87.9	Confident	88.7	Confident	86 Å²	86	94.7 Å²	94.7	71%	0.711	58%	0.581	S	S	*	*	H	α-helix	trans	-77.7	-20.1	178.2	0	0	0	0	0	113.5	A553 A554	A553-A557 PolarHBondContact O-N 2.86Å; A554-A557 PolarHBondContact O-N 3.5Å
558	A	82.7	Confident	88.3	Confident	89 Å²	89	98.3 Å²	98.3	74%	0.736	61%	0.607	S	S	*	*	H	α-helix	trans	-86.8	-14.8	177.5	0	0	0	0	0	113.9	A554 A555 K556	A554-A558 PolarHBondContact O-N 3.5Å; A554-A558 VanDerWaalsContact O-N 3.12Å; A555-A558 PolarHBondContact O-N 3.26Å; K556-A558 VanDerWaalsContact C-N 3.35Å
559	N	67.8	Low	87.8	Confident	194 Å²	194	94.3 Å²	94.3	100%	1.037	60%	0.602	S	S	*	*			trans	-97	0	171.8	-70.6	-31	0	0	0	110.2	A555 K556	A555-N559 PolarHBondContact O-N 3.23Å; A555-N559 PolarHBondContact O-ND2 3.12Å; K556-N559 VanDerWaalsContact O-OXT 3.13Å

Retrieved 559 of 559 residues in 211.8 ms (Link to these results)

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